| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 19 | No |
Popular Name: 5-[2-dimethylaminoethyl(isobutyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[2-dimethylaminoethyl(isobutyl…
| 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) | 1.90 | 11.66 | -53.97 | 2 | 5 | 1 | 41 | 286.469 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 8.92 | -45.88 | 0 | 5 | -1 | 37 | 284.453 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 11.62 | -68.21 | 1 | 5 | 0 | 38 | 285.461 | 8 | ↓ |
