In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 12 | 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) | 2.03 | 2.33 | -7.06 | 2 | 3 | 0 | 52 | 166.224 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.03 | 2.26 | -24.84 | 3 | 3 | 1 | 53 | 167.232 | 1 | ↓ |