| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 5-(4-tert-butylpiperazin-1-yl)sulfonyl-4-methyl-3H-thiazol-2-one 5-(4-tert-butylpiperazin-1-yl)su…
| 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) | 1.22 | 2.28 | -44.81 | 2 | 6 | 1 | 75 | 320.46 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 0.16 | -56.81 | 1 | 6 | 0 | 78 | 319.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 0.23 | -10.03 | 1 | 6 | 0 | 73 | 319.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | -1.93 | -41.63 | 0 | 6 | -1 | 77 | 318.444 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
