| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 30 | 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) | 3.60 | 11.97 | -28.13 | 1 | 5 | 1 | 38 | 404.582 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 10.05 | -7.09 | 0 | 5 | 0 | 37 | 403.574 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 12.4 | -34.44 | 1 | 5 | 1 | 38 | 404.582 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.60 | 12.84 | -84.46 | 2 | 5 | 2 | 40 | 405.59 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.