In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2011 | 26 | 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) | 0.10 | 4.79 | -39.57 | 2 | 8 | 1 | 91 | 358.422 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.10 | 4.37 | -20.9 | 1 | 8 | 0 | 89 | 357.414 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.