In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 14 | 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) | 2.15 | 5.97 | -37.37 | 2 | 2 | 1 | 29 | 193.314 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.15 | 6.43 | -93.07 | 3 | 2 | 2 | 31 | 194.322 | 5 | ↓ |