| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | Yes |
Popular Name: 2-[[5-(4-ethylpiperazin-1-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-(4-ethylpiperazin-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) | 1.05 | 10.83 | -73.55 | 1 | 7 | 0 | 79 | 313.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 8.61 | -47 | 0 | 7 | -1 | 77 | 312.419 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
