| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 20 | Yes |
Popular Name: 2-[[4-isopropyl-5-(4-methylpiperazin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-isopropyl-5-(4-methylpiper…
| 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) | 0.68 | 10.16 | -75.5 | 1 | 7 | 0 | 79 | 299.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 7.79 | -47.14 | 0 | 7 | -1 | 77 | 298.392 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
