UCSF

ZINC01383398

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 24 Yes

Popular Name: 3-({[6-oxo-1-propyl-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}methyl)benzenecarbonitrile 3-({[6-oxo-1-propyl-4-(trifluoro…

Find On: PubMed — Wikipedia — Google

CAS Number: 860609-29-6

Other Names:

MFCD04124032

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) 4.00 4.2 -11.09 0 4 0 58 353.369 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 127 KeyOrganics

Activity (Go SEA)

Rings

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

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