| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: 5-[isopentyl(methyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[isopentyl(methyl)amino]-4-pro…
| 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) | 2.40 | 10.23 | -10.6 | 1 | 4 | 0 | 37 | 242.392 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.13 | 10.37 | -45.67 | 0 | 4 | -1 | 34 | 241.384 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 10.34 | -49.25 | 2 | 4 | 1 | 38 | 243.4 | 6 | ↓ |
