In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 25th, 2007 | 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) | 4.67 | 7.03 | -12.26 | 0 | 3 | 0 | 39 | 325.165 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.67 | 7.31 | -36.71 | 1 | 3 | 1 | 40 | 326.173 | 1 | ↓ |