| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | No |
Popular Name: 5-[cyclobutylmethyl(methyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[cyclobutylmethyl(methyl)amino…
| 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) | 1.79 | 10.34 | -10.59 | 1 | 4 | 0 | 37 | 240.376 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 10.38 | -46.36 | 0 | 4 | -1 | 34 | 239.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 10.26 | -48.22 | 2 | 4 | 1 | 38 | 241.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
