In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 11 | 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) | 1.18 | 3.23 | -25.7 | 4 | 3 | 1 | 56 | 152.221 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 3.1 | -5.28 | 3 | 3 | 0 | 55 | 151.213 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 3.12 | -5.56 | 3 | 3 | 0 | 55 | 151.213 | 1 | ↓ |