In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 32 | 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) | -2.69 | -10.24 | -15.85 | 7 | 12 | 0 | 179 | 462.496 | 11 | ↓ |
Mid Mid (pH 6-8) | -2.69 | -9.02 | -44.4 | 8 | 12 | 1 | 184 | 463.504 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.