| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | No |
Popular Name: 5-(4-isobutylpiperazin-1-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(4-isobutylpiperazin-1-yl)-4-p…
| 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) | 1.76 | 11.19 | -54.17 | 2 | 5 | 1 | 41 | 284.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.49 | 9.43 | -43.91 | 0 | 5 | -1 | 37 | 282.437 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.49 | 11.32 | -65.87 | 1 | 5 | 0 | 38 | 283.445 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.76 | 9.25 | -9.25 | 1 | 5 | 0 | 40 | 283.445 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
