In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 12 | Yes |
None
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) | -0.51 | 2.4 | -11.98 | 3 | 6 | 0 | 85 | 164.172 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.51 | 2.51 | -37.56 | 4 | 6 | 1 | 87 | 165.18 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.