| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 22 | 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) | 1.00 | 5.39 | -10.84 | 2 | 7 | 0 | 74 | 315.372 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 7.72 | -34.56 | 3 | 7 | 1 | 76 | 316.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 6.52 | -29.37 | 3 | 7 | 1 | 76 | 316.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 6.41 | -28.04 | 3 | 7 | 1 | 76 | 316.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
