In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 24 | 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) | 0.46 | 5.81 | -42.89 | 2 | 7 | 1 | 67 | 338.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.46 | 4.58 | -11.8 | 1 | 7 | 0 | 63 | 337.468 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.