| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 13 | Yes |
Popular Name: 3-[(3S)-3-ethylpyrrolidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(3S)-3-ethylpyrrolidin-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) | -0.02 | 0 | -53.18 | 4 | 5 | 1 | 78 | 183.235 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.02 | -1.56 | -8.28 | 3 | 5 | 0 | 74 | 182.227 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
