In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2008 | 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) | 3.59 | -1.48 | -57.28 | 1 | 6 | 1 | 61 | 427.594 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.59 | -1.22 | -124.56 | 2 | 6 | 2 | 63 | 428.602 | 7 | ↓ |