In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 16th, 2011 | 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) | 1.87 | 4.95 | -6.2 | 1 | 3 | 0 | 34 | 240.306 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 6.17 | -51.46 | 2 | 3 | 1 | 39 | 241.314 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 5.41 | -35.91 | 2 | 3 | 1 | 35 | 241.314 | 3 | ↓ |