In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | 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) | 3.59 | 13.88 | -16.42 | 0 | 7 | 0 | 69 | 484.6 | 11 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 14.72 | -40.41 | 1 | 7 | 1 | 71 | 485.608 | 11 | ↓ |