In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 29 | No |
None
None
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) | 3.61 | 6.88 | -8.97 | 0 | 6 | 0 | 61 | 411.841 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.61 | 9.85 | -42.89 | 1 | 6 | 1 | 62 | 412.849 | 2 | ↓ |