| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 22 | 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) | 2.54 | 5.8 | -47.93 | 3 | 5 | 1 | 80 | 296.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 5.76 | -56.05 | 2 | 5 | 0 | 79 | 295.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 5 | -38.4 | 3 | 5 | 1 | 76 | 296.35 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
