| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 19 | No |
Popular Name: 4-[(1S)-3-(dimethylamino)-1-methyl-propyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[(1S)-3-(dimethylamino)-1-meth…
| 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) | 1.88 | 8.02 | -56.31 | 1 | 5 | 0 | 48 | 277.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 8.19 | -40.57 | 2 | 5 | 1 | 51 | 278.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
