In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 31st, 2009 | 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) | 2.72 | 6.12 | -5.51 | 0 | 4 | 0 | 39 | 281.396 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.72 | 8.3 | -37.42 | 1 | 4 | 1 | 40 | 282.404 | 4 | ↓ |