In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 21 | 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) | 4.67 | 7.08 | -9.1 | 2 | 4 | 0 | 54 | 303.793 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.67 | 7.41 | -32.05 | 3 | 4 | 1 | 55 | 304.801 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.