In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 30 | 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) | 5.04 | 13.82 | -41.72 | 1 | 4 | 1 | 28 | 447.43 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.04 | 11.62 | -7.81 | 0 | 4 | 0 | 27 | 446.422 | 5 | ↓ |