UCSF

ZINC56828475

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 31 Yes

Popular Name: (2S)-1,1,1-trifluoro-2-[4-[(2S)-2-methyl-4-[2-(4-pyridyl)ethyl]piperazin-1-yl]sulfonylphenyl]propan- (2S)-1,1,1-trifluoro-2-[4-[(2S)-…

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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) 2.68 4.44 -12.76 1 6 0 74 457.518 7 ↓
Mid Mid (pH 6-8) 2.68 4.9 -42.19 2 6 1 75 458.526 7 ↓
Lo Low (pH 4.5-6) 2.68 7.14 -109.8 3 6 2 76 459.534 7 ↓
Lo Low (pH 4.5-6) 2.68 6.68 -57.96 2 6 1 75 458.526 7 ↓

Activity (Go SEA)

Rings

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