In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2004 | 30 | Yes |
Popular Name: 4-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile 4-[[[5-(4-tert-butylphenyl)-4-cy…
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) | 6.95 | 4.27 | -12.21 | 0 | 4 | 0 | 54 | 416.594 | 6 | ↓ |