In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2010 | 45 | No |
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) | 6.50 | 17.17 | -56.06 | 3 | 7 | 1 | 85 | 626.221 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.