| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 5-[methyl(2-pyridylmethyl)amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl(2-pyridylmethyl)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) | 0.98 | 9.46 | -15.14 | 1 | 5 | 0 | 50 | 263.37 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 9.52 | -53.52 | 0 | 5 | -1 | 47 | 262.362 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.98 | 9.85 | -47.7 | 2 | 5 | 1 | 51 | 264.378 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
