In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 34 | 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) | 3.56 | 11.3 | -12.7 | 1 | 7 | 0 | 78 | 456.546 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 11.87 | -39.13 | 2 | 7 | 1 | 80 | 457.554 | 10 | ↓ |