UCSF

ZINC01383397

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-[(3-methoxybenzyl)sulfanyl]-3-propyl-6-(trifluoromethyl)-4(3H)-pyrimidinone 2-[(3-methoxybenzyl)sulfanyl]-3-…

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CAS Number: 860609-28-5

Other Names:

MFCD04124031

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) 4.30 2.84 -7.91 0 4 0 44 358.385 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 51 - 53 KeyOrganics

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Rings

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

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