In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 24 | No |
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) | 2.68 | 11.14 | -15.38 | 0 | 7 | 0 | 79 | 334.42 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 11.62 | -52.42 | 1 | 7 | 1 | 80 | 335.428 | 9 | ↓ |