In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 3.23 | 9.6 | -14.05 | 1 | 6 | 0 | 62 | 453.558 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 11.87 | -51.83 | 2 | 6 | 1 | 63 | 454.566 | 10 | ↓ |