| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: 2-[[5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-(dimethylamino)pyr…
| 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) | 0.57 | 10.35 | -76.69 | 1 | 7 | 0 | 79 | 299.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 7.94 | -48.74 | 0 | 7 | -1 | 77 | 298.392 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
