UCSF

ZINC00646612

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Popular Name: 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(4-pyridinylmethyl)acetamide 2-{[4-(4-fluorophenyl)-6-(triflu…

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Other Names:

MFCD02735873

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) 3.89 -0.13 -11.36 1 5 0 67 422.407 7 ↓
Lo Low (pH 4.5-6) 3.89 -0.02 -43.54 2 5 1 69 423.415 7 ↓

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

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