In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | 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) | 5.72 | 12.16 | -9.84 | 0 | 5 | 0 | 48 | 442.559 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.72 | 15.14 | -50.49 | 1 | 5 | 1 | 49 | 443.567 | 3 | ↓ |