| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (5-amino-1H-1,2,4-triazol-3-yl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone (5-amino-1H-1,2,4-triazol-3-yl)-…
| 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) | -1.11 | 3.87 | -47.12 | 4 | 7 | 1 | 92 | 225.276 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.11 | 1.46 | -12.59 | 3 | 7 | 0 | 91 | 224.268 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.11 | 3.71 | -62.19 | 3 | 7 | 0 | 91 | 224.268 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
