UCSF

ZINC17991244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 No

Popular Name: (2S,6Z)-5-cyclohexyl-6-cyclohexylimino-2-(p-tolyl)-2-(trifluoromethyl)-1,3,5-thiadiazinan-4-one (2S,6Z)-5-cyclohexyl-6-cyclohexy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 7.67 12.09 -4.69 1 4 0 45 453.574 4 ↓
Mid Mid (pH 6-8) 6.74 10.04 -42.76 0 4 -1 51 452.566 4 ↓
Mid Mid (pH 6-8) 6.74 10.77 -42.85 0 4 -1 51 452.566 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.