In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 36 | 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) | 5.00 | 12.27 | -12.96 | 0 | 6 | 0 | 65 | 480.564 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.00 | 12.3 | -36.97 | 1 | 6 | 1 | 66 | 481.572 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.