| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2007 | 25 | 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) | 3.72 | 6.96 | -12.07 | 1 | 5 | 0 | 66 | 421.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 7.12 | -38.13 | 0 | 5 | -1 | 69 | 420.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 7.11 | -40.39 | 0 | 5 | -1 | 69 | 420.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
