| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | No |
Popular Name: 4-allyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-thiol 4-allyl-5-[2-(4-methylpiperazin-…
| 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) | 0.30 | 6.92 | -48.25 | 2 | 5 | 1 | 41 | 268.41 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 4.54 | -11.02 | 1 | 5 | 0 | 40 | 267.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 4.47 | -43.23 | 0 | 5 | -1 | 37 | 266.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 6.85 | -66.69 | 1 | 5 | 0 | 38 | 267.402 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.02 | 6.74 | -63.13 | 1 | 5 | 0 | 38 | 267.402 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
