In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 15 | Yes |
Popular Name: (3R)-3-[[(1R)-1-(1-methylcyclopropyl)ethyl]amino]azepan-2-one (3R)-3-[[(1R)-1-(1-methylcyclopr…
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) | 1.25 | 4.59 | -35.84 | 3 | 3 | 1 | 46 | 211.329 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 4.39 | -5.58 | 2 | 3 | 0 | 41 | 210.321 | 3 | ↓ |