In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 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) | 0.29 | 1.51 | -45.98 | 4 | 3 | 1 | 47 | 180.275 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.29 | 3.9 | -126.84 | 5 | 3 | 2 | 48 | 181.283 | 3 | ↓ |