| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 22 | No |
| 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) | -0.85 | 1.43 | -42.75 | 1 | 6 | 0 | 57 | 307.418 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | -0.5 | -6.53 | 0 | 6 | 0 | 56 | 306.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | -0.91 | -5.72 | 0 | 6 | 0 | 56 | 306.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 4.21 | -118.02 | 2 | 6 | 0 | 59 | 308.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 1.84 | -51.44 | 1 | 6 | 0 | 57 | 307.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 3.78 | -99.16 | 2 | 6 | 0 | 59 | 308.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
