In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 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) | 3.30 | 8.39 | -12.24 | 1 | 4 | 0 | 46 | 323.371 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.30 | 8.83 | -36.65 | 2 | 4 | 1 | 48 | 324.379 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.