UCSF

ZINC39693937

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 38 Yes

Popular Name: (1S)-3-(2,3-difluoro-4-methyl-benzoyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3,8-diazaspiro[4 (1S)-3-(2,3-difluoro-4-methyl-be…

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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) 2.17 10.84 -112.11 4 7 2 74 527.66 5 ↓
Mid Mid (pH 6-8) 2.17 8.48 -64.78 3 7 1 72 526.652 5 ↓

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