In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 28 | 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) | 3.96 | 8.23 | -13.7 | 2 | 7 | 0 | 89 | 418.906 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 8.03 | -47.99 | 1 | 7 | -1 | 87 | 417.898 | 8 | ↓ |