| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | No |
Popular Name: 5-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl-[[(2S)-tetrahydrofuran…
| 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) | 1.12 | 8.59 | -10.78 | 1 | 5 | 0 | 46 | 256.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 8.62 | -41.13 | 1 | 5 | 0 | 44 | 256.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 8.7 | -46.93 | 0 | 5 | -1 | 43 | 255.367 | 5 | ↓ |
