In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 19 | 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) | 2.75 | 7.17 | -7.39 | 0 | 4 | 0 | 38 | 257.337 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 7.66 | -24.96 | 1 | 4 | 1 | 40 | 258.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.