In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 2.45 | 5.81 | -9.03 | 0 | 3 | 0 | 30 | 281.302 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 7.78 | -32.45 | 1 | 3 | 1 | 31 | 282.31 | 3 | ↓ |