In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 29th, 2008 | 28 | Yes |
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) | 4.65 | 13.6 | -36.95 | 2 | 3 | 1 | 33 | 376.499 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.65 | 13.9 | -88.39 | 3 | 3 | 2 | 34 | 377.507 | 5 | ↓ |