UCSF

ZINC12650631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 15 Yes

Popular Name: 3-(4-TRIFLUOROMETHYLPHENYL)-DL-BETA-ALANINOL HCL 3-(4-TRIFLUOROMETHYLPHENYL)-DL-B…

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CAS Numbers: 1159826-26-2 , 787615-24-1

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) -0.04 1.72 -52.76 4 2 1 48 220.214 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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