In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 27 | 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) | 2.70 | 6.46 | -52.95 | 3 | 7 | 1 | 80 | 376.525 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 3.96 | -51.15 | 2 | 7 | 0 | 87 | 375.517 | 7 | ↓ |