In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 15 | 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) | 4.79 | 7.57 | -1.74 | 1 | 1 | 0 | 12 | 203.329 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.79 | 7.81 | -34.33 | 2 | 1 | 1 | 17 | 204.337 | 2 | ↓ |