In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 25 | 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) | -0.78 | -0.82 | -73.12 | 5 | 8 | 1 | 127 | 365.435 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.78 | -1.11 | -22.35 | 4 | 8 | 0 | 125 | 364.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.