In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2011 | 18 | 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) | -4.60 | 2.9 | -28.26 | 1 | 8 | 1 | 93 | 250.238 | 0 | ↓ |
Mid Mid (pH 6-8) | -5.72 | 3.29 | -99.66 | 2 | 8 | 2 | 95 | 251.246 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.