In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 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) | 3.17 | 5.37 | -13.79 | 2 | 7 | 0 | 88 | 443.569 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.17 | 7.49 | -53.48 | 3 | 7 | 1 | 89 | 444.577 | 12 | ↓ |