In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 38 | 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) | 6.42 | 12.72 | -11.11 | 2 | 6 | 0 | 78 | 522.004 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.42 | 13.49 | -47.54 | 1 | 6 | -1 | 81 | 520.996 | 7 | ↓ |