In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 28 | No |
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) | 2.68 | 8.13 | -62.96 | 0 | 6 | -1 | 83 | 380.42 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 7.37 | -12.89 | 1 | 6 | 0 | 80 | 381.428 | 5 | ↓ |