In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2011 | 28 | 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) | -1.87 | -6.08 | -52.48 | 8 | 9 | 1 | 158 | 402.512 | 10 | ↓ |
Hi High (pH 8-9.5) | -1.87 | -6.46 | -10.98 | 7 | 9 | 0 | 156 | 401.504 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.