In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 25 | 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) | 3.12 | 10.35 | -10.06 | 0 | 4 | 0 | 42 | 332.403 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.12 | 10.63 | -37.41 | 1 | 4 | 1 | 44 | 333.411 | 6 | ↓ |