| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 20 | No |
Popular Name: 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-phenyl-1,2,4-triazole-3-thiol 4-[[(2S)-1-ethylpyrrolidin-2-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) | 3.09 | 10.61 | -55.76 | 1 | 4 | 0 | 35 | 288.42 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 8.26 | -47.76 | 0 | 4 | -1 | 34 | 287.412 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 10.77 | -45.06 | 2 | 4 | 1 | 38 | 289.428 | 4 | ↓ |
