In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2011 | 22 | 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) | 0.80 | 4.67 | -11.16 | 3 | 7 | 0 | 88 | 305.382 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 4.38 | -45.65 | 4 | 7 | 1 | 89 | 306.39 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.