In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 24 | 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) | 0.52 | 5.83 | -98.31 | 4 | 7 | 2 | 80 | 332.452 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 3.78 | -51.56 | 3 | 7 | 1 | 79 | 331.444 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.