| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 17 | 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) | -0.58 | -0.89 | -31.19 | 5 | 6 | 1 | 90 | 236.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 1.27 | -90.09 | 6 | 6 | 2 | 91 | 237.307 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 0.97 | -39.86 | 5 | 6 | 1 | 90 | 236.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | -1.2 | -10.6 | 4 | 6 | 0 | 88 | 235.291 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
