| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 19 | Yes |
Popular Name: 2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-piperazin-1-yl-ethanone 2-[(5-amino-4-isopropyl-1,2,4-tr…
| 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) | -0.43 | 5.5 | -53.56 | 4 | 7 | 1 | 94 | 285.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 4.2 | -12.59 | 3 | 7 | 0 | 89 | 284.389 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
