In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 0.22 | 2.39 | -71.54 | 3 | 6 | 1 | 84 | 241.278 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 2 | -12.15 | 2 | 6 | 0 | 83 | 240.27 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.