| 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 | 1.86 | -30.76 | 1 | 6 | 0 | 57 | 307.418 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | -0.23 | -6.5 | 0 | 6 | 0 | 56 | 306.41 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | -0.16 | -6.02 | 0 | 6 | 0 | 56 | 306.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 4.48 | -107.99 | 2 | 6 | 0 | 59 | 308.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 2.11 | -39.14 | 1 | 6 | 0 | 57 | 307.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 4.21 | -79.94 | 2 | 6 | 0 | 59 | 308.426 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
