UCSF

ZINC01383396

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 25 No

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

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CAS Number: 860609-27-4

Other Names:

MFCD04124030

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) 4.23 3.34 -12.21 0 6 0 80 373.356 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 85 - 87 KeyOrganics

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Rings

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

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