UCSF

ZINC00750601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 35 Yes

Popular Name: 2-[[4-chloro-6-[(3S)-4-(3-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(4-fluorophenyl) 2-[[4-chloro-6-[(3S)-4-(3-fluoro…

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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) 4.62 11.47 -16.05 1 7 0 78 517.989 6 ↓

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Rings

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

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