In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2009 | 36 | Yes |
Popular Name: 1-(1-adamantyl)-3-[4-[4-[(3S)-3,5,5-trimethylhexanoyl]piperazin-1-yl]phenyl]urea 1-(1-adamantyl)-3-[4-[4-[(3S)-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) | 6.67 | 12.63 | -14.32 | 2 | 6 | 0 | 65 | 494.724 | 7 | ↓ |
Popular Name: 1-cyclohexyl-3-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]urea 1-cyclohexyl-3-[4-[4-(cyclopropa…
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) | 3.54 | 8.31 | -14.55 | 2 | 6 | 0 | 65 | 370.497 | 4 | ↓ |
Popular Name: 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexyl-urea 1-[4-(4-acetylpiperazin-1-yl)phe…
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) | 2.71 | 6.84 | -16.72 | 2 | 6 | 0 | 65 | 344.459 | 3 | ↓ |