In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 17 | 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) | 0.31 | 4.02 | -37.83 | 5 | 6 | 1 | 90 | 235.267 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 3.6 | -12.12 | 4 | 6 | 0 | 88 | 234.259 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.