| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 5-(4-isopropylpiperazin-1-yl)-4-propyl-1,2,4-triazole-3-thiol 5-(4-isopropylpiperazin-1-yl)-4-…
| 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) | 1.31 | 10.26 | -52.01 | 2 | 5 | 1 | 41 | 270.426 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 8.26 | -41.44 | 1 | 5 | 0 | 38 | 269.418 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 8.24 | -44.21 | 0 | 5 | -1 | 37 | 268.41 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 8.1 | -9.43 | 1 | 5 | 0 | 40 | 269.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 10.4 | -64.26 | 1 | 5 | 0 | 38 | 269.418 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
