In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 13 | 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) | 1.78 | 2.22 | -6.4 | 2 | 3 | 0 | 52 | 178.235 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.78 | 2.79 | -25.98 | 3 | 3 | 1 | 53 | 179.243 | 1 | ↓ |