UCSF

ZINC34221395

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 19 No

Popular Name: (S)-4,4,4-Trifluoro-3-hydroxybutyl 4-methylbenzenesulfonate (S)-4,4,4-Trifluoro-3-hydroxybut…

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CAS Number: 176640-87-2

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 2.25 -10.91 1 4 0 64 298.282 6 ↓

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