In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | Yes |
Popular Name: 5-[[(2R)-2-methyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2R)-2-methyl-1-piperidyl]su…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.61 | 3.99 | -49.25 | 0 | 6 | -1 | 91 | 272.302 | 3 | ↓ |
Popular Name: 5-[[(2S)-2-methyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2S)-2-methyl-1-piperidyl]su…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.61 | 4.16 | -48.8 | 0 | 6 | -1 | 91 | 272.302 | 3 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.65 | 5.36 | -48.64 | 0 | 6 | -1 | 91 | 300.356 | 5 | ↓ |
Popular Name: 5-[[(2S,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2S,6R)-2,6-dimethyl-1-piper…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.94 | 4.96 | -49.12 | 0 | 6 | -1 | 91 | 286.329 | 3 | ↓ |
Popular Name: 5-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2S,6S)-2,6-dimethyl-1-piper…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.94 | 4.65 | -48.94 | 0 | 6 | -1 | 91 | 286.329 | 3 | ↓ |
Popular Name: 5-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2R,6R)-2,6-dimethyl-1-piper…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.94 | 4.49 | -50.03 | 0 | 6 | -1 | 91 | 286.329 | 3 | ↓ |
Popular Name: 5-[[(2R)-2-ethyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2R)-2-ethyl-1-piperidyl]sul…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.14 | 4.68 | -49.93 | 0 | 6 | -1 | 91 | 286.329 | 4 | ↓ |
Popular Name: 5-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(2S)-2-ethyl-1-piperidyl]sul…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.14 | 4.77 | -49.78 | 0 | 6 | -1 | 91 | 286.329 | 4 | ↓ |
Popular Name: 5-[cyclopropyl(isopentyl)sulfamoyl]furan-2-carboxylic 5-[cyclopropyl(isopentyl)sulfamo…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.39 | 5.67 | -49.49 | 0 | 6 | -1 | 91 | 300.356 | 7 | ↓ |
Popular Name: 5-[cyclohexyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic 5-[cyclohexyl(2-hydroxyethyl)sul…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.64 | 3.3 | -50.18 | 1 | 7 | -1 | 111 | 316.355 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.98 | 5.82 | -49.45 | 0 | 6 | -1 | 91 | 302.372 | 8 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.17 | 5.2 | -49.35 | 0 | 6 | -1 | 91 | 286.329 | 7 | ↓ |
Popular Name: 5-[[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]sulfonyl]furan-2-carboxylic 5-[[(9aR)-1,3,4,6,7,8,9,9a-octah…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.15 | 4.89 | -70.33 | 1 | 7 | 0 | 95 | 314.363 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.15 | 2.64 | -50.29 | 0 | 7 | -1 | 94 | 313.355 | 3 | ↓ |
Popular Name: 5-[[(3R)-3-acetamido-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(3R)-3-acetamido-1-piperidyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.10 | 1.73 | -59.91 | 1 | 8 | -1 | 120 | 315.327 | 4 | ↓ |
Popular Name: 5-[[(3S)-3-acetamido-1-piperidyl]sulfonyl]furan-2-carboxylic 5-[[(3S)-3-acetamido-1-piperidyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.10 | 1.74 | -54.95 | 1 | 8 | -1 | 120 | 315.327 | 4 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.41 | 5.3 | -48.64 | 0 | 6 | -1 | 91 | 298.34 | 6 | ↓ |
Popular Name: methyl 5-{[cyclohexyl(methyl)amino]sulfonyl}-2-furoate methyl 5-{[cyclohexyl(methyl)ami…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.53 | -1.84 | -9.84 | 0 | 6 | 0 | 76 | 301.364 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.28 | 2.28 | -52.42 | 0 | 6 | -1 | 91 | 258.275 | 3 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.77 | 1.42 | -52 | 0 | 6 | -1 | 91 | 244.248 | 3 | ↓ |