UCSF

ZINC39693967

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 Yes

Popular Name: (1S)-3-(2-tert-butyl-5-methyl-pyrazole-3-carbonyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3,8- (1S)-3-(2-tert-butyl-5-methyl-py…

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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) 2.11 10.24 -105.71 4 9 2 92 537.753 6 ↓
Mid Mid (pH 6-8) 2.11 7.89 -58.84 3 9 1 90 536.745 6 ↓

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