UCSF

ZINC40950401

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 Yes

Popular Name: (2S)-1,1,1-trifluoro-2-[4-[(2R)-2-methyl-4-[[1-(4-pyridyl)cyclopropyl]methyl]piperazin-1-yl]sulfonyl (2S)-1,1,1-trifluoro-2-[4-[(2R)-…

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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) 2.92 7.83 -49.38 2 6 1 75 484.564 7 ↓
Mid Mid (pH 6-8) 2.92 6.55 -43.79 2 6 1 75 484.564 7 ↓
Mid Mid (pH 6-8) 2.92 6.09 -11.6 1 6 0 74 483.556 7 ↓
Lo Low (pH 4.5-6) 2.92 8.29 -111.25 3 6 2 76 485.572 7 ↓

Activity (Go SEA)

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