In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 18 | 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) | 1.65 | 5.4 | -51.12 | 3 | 3 | 1 | 50 | 243.33 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 5.84 | -88.68 | 4 | 3 | 2 | 51 | 244.338 | 5 | ↓ |