UCSF

ZINC23001935

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 Yes

Popular Name: 2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)cyclopropanecarboxylic acid 2-({4-[3-chloro-5-(trifluorometh…

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CAS Number: 1023559-02-5

Other Names:

MFCD00955235

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) 2.21 6.78 -51.13 0 6 -1 77 376.742 4 ↓
Lo Low (pH 4.5-6) 2.21 5.65 -12.28 1 6 0 74 377.75 4 ↓

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Rings

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

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