In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 20 | Yes |
Popular Name: 3-(azepan-1-ylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-(azepan-1-ylmethyl)-5-(4-pyrid…
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) | 1.46 | 5.92 | -38.72 | 1 | 6 | 1 | 65 | 275.332 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 3.69 | -7.45 | 0 | 6 | 0 | 64 | 274.324 | 3 | ↓ |
Popular Name: 3-[[(2R)-2-methyl-1-piperidyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one 3-[[(2R)-2-methyl-1-piperidyl]me…
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) | 2.58 | 7.46 | -32.71 | 1 | 5 | 1 | 52 | 274.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 5.04 | -7.47 | 0 | 5 | 0 | 51 | 273.336 | 3 | ↓ |
Popular Name: 3-[[(2S)-2-methyl-1-piperidyl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one 3-[[(2S)-2-methyl-1-piperidyl]me…
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) | 2.58 | 7.15 | -31.92 | 1 | 5 | 1 | 52 | 274.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 4.81 | -7.36 | 0 | 5 | 0 | 51 | 273.336 | 3 | ↓ |
Popular Name: 3-[[(2R)-2-methyl-1-piperidyl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazol-2-one 3-[[(2R)-2-methyl-1-piperidyl]me…
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) | 1.51 | 5.68 | -34.23 | 1 | 6 | 1 | 65 | 275.332 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.51 | 3.26 | -7.95 | 0 | 6 | 0 | 64 | 274.324 | 3 | ↓ |
Popular Name: 3-[[(2S)-2-methyl-1-piperidyl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazol-2-one 3-[[(2S)-2-methyl-1-piperidyl]me…
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) | 1.51 | 5.39 | -33.54 | 1 | 6 | 1 | 65 | 275.332 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.51 | 3.05 | -7.91 | 0 | 6 | 0 | 64 | 274.324 | 3 | ↓ |
Popular Name: 3-[(4-methyl-1-piperidyl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazol-2-one 3-[(4-methyl-1-piperidyl)methyl]…
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) | 1.42 | 5.59 | -37.42 | 1 | 6 | 1 | 65 | 275.332 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.42 | 3.09 | -8.11 | 0 | 6 | 0 | 64 | 274.324 | 3 | ↓ |
Popular Name: 3-(1-piperidylmethyl)-5-(3-pyridyl)-1,3,4-oxadiazol-2-one 3-(1-piperidylmethyl)-5-(3-pyrid…
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) | 1.18 | 5.25 | -36.71 | 1 | 6 | 1 | 65 | 261.305 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 2.72 | -8.1 | 0 | 6 | 0 | 64 | 260.297 | 3 | ↓ |
Popular Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(4-pyridyl)-1,3,4-oxadiazol-2-one 3-(morpholin-4-ium-4-ylmethyl)-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) | -0.10 | -0.97 | -42 | 1 | 7 | 1 | 74 | 263.277 | 3 | ↓ |
Popular Name: 3-[(4-methyl-1-piperidyl)methyl]-5-phenyl-1,3,4-oxadiazol-2-one 3-[(4-methyl-1-piperidyl)methyl]…
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) | 2.49 | 8.15 | -37.61 | 1 | 5 | 1 | 52 | 274.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 5.79 | -7.17 | 0 | 5 | 0 | 51 | 273.336 | 3 | ↓ |
Popular Name: 5-phenyl-3-(1-piperidylmethyl)-1,3,4-oxadiazol-2-one 5-phenyl-3-(1-piperidylmethyl)-1…
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) | 2.25 | 6.97 | -34.57 | 1 | 5 | 1 | 52 | 260.317 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.52 | -7.64 | 0 | 5 | 0 | 51 | 259.309 | 3 | ↓ |