In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 22 | 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) | 3.15 | 7.86 | -8.47 | 1 | 4 | 0 | 42 | 296.37 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 5.97 | -27.5 | 2 | 4 | 1 | 46 | 297.378 | 3 | ↓ |