| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 16 | No |
Popular Name: 5-[3-methoxypropyl(methyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[3-methoxypropyl(methyl)amino]…
None
| 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) | 1.00 | 8.12 | -50.15 | 2 | 5 | 1 | 47 | 245.372 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 8.06 | -45.73 | 1 | 5 | 0 | 44 | 244.364 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 8.16 | -48.03 | 0 | 5 | -1 | 43 | 243.356 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
