In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 35 | 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) | 4.68 | 15.23 | -15.78 | 0 | 6 | 0 | 57 | 469.585 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.68 | 15.78 | -43.71 | 1 | 6 | 1 | 58 | 470.593 | 9 | ↓ |