In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 29th, 2009 | 25 | 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) | 3.05 | 4.65 | -51.9 | 3 | 5 | -1 | 101 | 353.479 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 3.53 | -14.29 | 4 | 5 | 0 | 98 | 354.487 | 12 | ↓ |