In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 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) | 2.80 | 11.21 | -16.87 | 1 | 7 | 0 | 76 | 398.85 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 11.68 | -35.1 | 2 | 7 | 1 | 78 | 399.858 | 6 | ↓ |