In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 31 | 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) | 3.44 | 4.02 | -9.71 | 2 | 6 | 0 | 65 | 428.573 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 6.32 | -41.39 | 3 | 6 | 1 | 67 | 429.581 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 6.49 | -47.12 | 3 | 6 | 1 | 67 | 429.581 | 10 | ↓ |