In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 13 | 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) | 1.83 | 6.51 | -12.36 | 0 | 3 | 0 | 41 | 171.203 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.83 | 6.98 | -35.49 | 1 | 3 | 1 | 42 | 172.211 | 1 | ↓ |