In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 19 | 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) | 3.64 | 6.85 | -25.89 | 3 | 3 | 1 | 42 | 264.437 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 7.37 | -37.11 | 3 | 3 | 1 | 45 | 264.437 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.