In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 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) | 4.68 | 11.97 | -25.83 | 1 | 2 | 1 | 19 | 251.353 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.68 | 11.53 | -10.63 | 0 | 2 | 0 | 17 | 250.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.