In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 28 | Yes |
None
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) | 2.32 | 8.18 | -13.02 | 1 | 7 | 0 | 70 | 378.48 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 10.33 | -44.22 | 2 | 7 | 1 | 71 | 379.488 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.