In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 36 | 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) | 3.01 | 9.66 | -52.82 | 4 | 9 | 1 | 110 | 484.584 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.01 | 7.29 | -17.83 | 3 | 9 | 0 | 109 | 483.576 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.