In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 28 | Yes |
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) | 2.29 | 8.67 | -10.8 | 1 | 6 | 0 | 70 | 387.524 | 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) | 2.29 | 8.23 | -10.98 | 1 | 6 | 0 | 70 | 387.524 | 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) | 2.29 | 8.68 | -10.42 | 1 | 6 | 0 | 70 | 387.524 | 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) | 2.82 | 9.44 | -9.89 | 1 | 6 | 0 | 70 | 401.551 | 7 | ↓ |
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) | 2.82 | 9.36 | -10.54 | 1 | 6 | 0 | 70 | 401.551 | 7 | ↓ |
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) | 2.82 | 8.93 | -10.67 | 1 | 6 | 0 | 70 | 401.551 | 7 | ↓ |
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) | 2.82 | 9.35 | -10.07 | 1 | 6 | 0 | 70 | 401.551 | 7 | ↓ |
Popular Name: N-[(1S)-2-ethyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)butyl]-N-methyl-benzamide N-[(1S)-2-ethyl-1-(1,1,3,3-tetra…
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) | 4.91 | 11.8 | -9.31 | 1 | 4 | 0 | 49 | 374.569 | 9 | ↓ |
Popular Name: N-[(1R)-2-ethyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)butyl]-N-methyl-benzamide N-[(1R)-2-ethyl-1-(1,1,3,3-tetra…
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) | 4.91 | 10.8 | -6.31 | 1 | 4 | 0 | 49 | 374.569 | 9 | ↓ |
Popular Name: N-[(1S)-1-(tert-butylcarbamoyl)-2-ethyl-butyl]-N-propyl-benzamide N-[(1S)-1-(tert-butylcarbamoyl)-…
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) | 4.19 | 8.97 | -7.64 | 1 | 4 | 0 | 49 | 346.515 | 9 | ↓ |
Popular Name: N-[(1R)-1-(tert-butylcarbamoyl)-2-ethyl-butyl]-N-propyl-benzamide N-[(1R)-1-(tert-butylcarbamoyl)-…
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) | 4.19 | 10.19 | -9.8 | 1 | 4 | 0 | 49 | 346.515 | 9 | ↓ |
Popular Name: N-[(1S)-2-ethyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)butyl]-N-propyl-benzamide N-[(1S)-2-ethyl-1-(1,1,3,3-tetra…
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) | 5.79 | 11.94 | -7.49 | 1 | 4 | 0 | 49 | 402.623 | 11 | ↓ |
Popular Name: N-[(1R)-2-ethyl-1-(1,1,3,3-tetramethylbutylcarbamoyl)butyl]-N-propyl-benzamide N-[(1R)-2-ethyl-1-(1,1,3,3-tetra…
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) | 5.79 | 13.04 | -8.86 | 1 | 4 | 0 | 49 | 402.623 | 11 | ↓ |
Popular Name: N-[(1R)-1-(butylcarbamoyl)-2-ethyl-butyl]-N-propyl-benzamide N-[(1R)-1-(butylcarbamoyl)-2-eth…
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) | 4.44 | 10.83 | -10.65 | 1 | 4 | 0 | 49 | 346.515 | 11 | ↓ |
Popular Name: N-[(1S)-1-(butylcarbamoyl)-2-ethyl-butyl]-N-propyl-benzamide N-[(1S)-1-(butylcarbamoyl)-2-eth…
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) | 4.44 | 9.27 | -8.06 | 1 | 4 | 0 | 49 | 346.515 | 11 | ↓ |
Popular Name: N-[(1S,2S)-1-(4-benzylpiperazine-1-carbonyl)-2-methyl-butyl]benzamide N-[(1S,2S)-1-(4-benzylpiperazine…
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) | 3.38 | 9 | -7.98 | 1 | 5 | 0 | 53 | 393.531 | 7 | ↓ |
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) | 2.29 | 8.75 | -10.09 | 1 | 6 | 0 | 70 | 387.524 | 6 | ↓ |