| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 18 | No |
Popular Name: 2-[[(2S)-2-isopropylpyrrolidin-1-yl]methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[[(2S)-2-isopropylpyrrolidin-1…
| 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) | 2.14 | 9.52 | -33.43 | 2 | 4 | 1 | 38 | 269.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 6.9 | -10.83 | 1 | 4 | 0 | 37 | 268.43 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
