In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 12 | 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) | 1.58 | -1.39 | -39.05 | 1 | 4 | -1 | 69 | 246.065 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.13 | 0.49 | -8.3 | 2 | 4 | 0 | 66 | 247.073 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.