In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 32 | 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) | 4.29 | 11.81 | -76.63 | 1 | 7 | 0 | 91 | 442.556 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 11.07 | -50.32 | 2 | 7 | 1 | 88 | 443.564 | 13 | ↓ |