In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 20 | 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) | 4.34 | 7.86 | -7.74 | 0 | 3 | 0 | 46 | 280.714 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.34 | 8.53 | -37.36 | 1 | 3 | 1 | 47 | 281.722 | 2 | ↓ |