| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: 2-[[5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-[(3S)-3-(diethylamino)pyrr…
| 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) | 0.95 | 10.57 | -73.25 | 1 | 7 | 0 | 79 | 313.427 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 8.53 | -48.63 | 0 | 7 | -1 | 77 | 312.419 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
