UCSF

ZINC01400820

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 24 Yes

Popular Name: methyl 4-({[1-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]sulfanyl}methyl)benzenecarboxylate methyl 4-({[1-methyl-6-oxo-4-(tr…

Find On: PubMed — Wikipedia — Google

CAS Number: 339101-75-6

Other Names:

MFCD00243507

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) 3.56 3.64 -11.34 0 5 0 61 358.341 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 140 - 141 KeyOrganics

Activity (Go SEA)

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