| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | Yes |
Popular Name: 2-(3-amino-1,2,4-triazol-1-yl)-1-[(3R)-3-(diethylamino)pyrrolidin-1-yl]ethanone 2-(3-amino-1,2,4-triazol-1-yl)-1…
| 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) | -0.48 | 7.25 | -51.5 | 3 | 7 | 1 | 81 | 267.357 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.48 | 5.23 | -19.1 | 2 | 7 | 0 | 80 | 266.349 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
