In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 31 | Yes |
Popular Name: N-(1-adamantyl)-6-[(3S)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide N-(1-adamantyl)-6-[(3S)-3-phenyl…
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) | 4.49 | 11.17 | -49.19 | 3 | 5 | 1 | 62 | 417.577 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.49 | 9.9 | -8.89 | 2 | 5 | 0 | 57 | 416.569 | 4 | ↓ |