| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | 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) | 1.54 | 7.09 | -34.25 | 3 | 3 | 1 | 40 | 289.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 5.9 | -47.53 | 3 | 3 | 1 | 40 | 289.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 7.06 | -128.22 | 4 | 3 | 2 | 41 | 290.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 4.96 | -2.39 | 2 | 3 | 0 | 38 | 288.435 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
