| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | 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) | 2.12 | 6.39 | -41.47 | 1 | 5 | 0 | 72 | 347.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 4.95 | -54.76 | 0 | 5 | -1 | 70 | 346.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 5.88 | -47.22 | 2 | 5 | 1 | 69 | 348.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
