| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2011 | 12 | Yes |
Popular Name: 3-[(3S)-3-methylpyrrolidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(3S)-3-methylpyrrolidin-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) | -0.35 | -0.31 | -49.86 | 4 | 5 | 1 | 78 | 169.208 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.35 | -1.7 | -8.18 | 3 | 5 | 0 | 74 | 168.2 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
