In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2008 | 16 | No |
Popular Name: 5-cyclopropyl-4-[(1S,2S)-2-methylcyclohexyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[(1S,2S)-2-methy…
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) | 2.05 | 9.5 | -12.74 | 1 | 3 | 0 | 34 | 237.372 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 9.33 | -48.92 | 0 | 3 | -1 | 31 | 236.364 | 2 | ↓ |