| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | No |
Popular Name: 5-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-4-ethyl-1,2,4-triazole-3-thiol 5-[(3S)-3-(diethylamino)pyrrolid…
| 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) | 1.15 | 10.09 | -51.46 | 2 | 5 | 1 | 41 | 270.426 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 7.94 | -10.16 | 1 | 5 | 0 | 40 | 269.418 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
