| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2012 | 34 | 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) | 3.69 | 10.31 | -12.7 | 0 | 8 | 0 | 65 | 461.566 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 10.33 | -39.42 | 1 | 8 | 1 | 66 | 462.574 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 12.69 | -41.76 | 1 | 8 | 1 | 66 | 462.574 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.