In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 30 | Yes |
Popular Name: N-(1-adamantyl)-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-(1-adamantyl)-2-[(2S)-2-(3-pyr…
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) | 3.96 | 11.88 | -9.38 | 1 | 5 | 0 | 58 | 402.542 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 12.35 | -30.6 | 2 | 5 | 1 | 59 | 403.55 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.96 | 12.23 | -32.49 | 2 | 5 | 1 | 59 | 403.55 | 4 | ↓ |