In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | 2.52 | 6.64 | -5.43 | 0 | 2 | 0 | 20 | 231.339 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 8.84 | -43.7 | 1 | 2 | 1 | 22 | 232.347 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.