| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 11 | 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) | -0.01 | 1.72 | -89.68 | 3 | 3 | 2 | 34 | 153.229 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 1.12 | -4.77 | 2 | 3 | 0 | 31 | 151.213 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.18 | 2.42 | -39.19 | 3 | 3 | 1 | 36 | 152.221 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 0.41 | -29.02 | 2 | 3 | 1 | 29 | 152.221 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
