In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2009 | 31 | 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) | 5.76 | 14.91 | -12.85 | 0 | 4 | 0 | 38 | 431.502 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.76 | 15.36 | -44.14 | 1 | 4 | 1 | 39 | 432.51 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.