UCSF

ZINC39323946

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 Yes

Popular Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3,5-dica 2-amino-4-(3,4-dimethoxyphenyl)-…

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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) 1.46 5.84 -17.62 2 9 0 129 452.54 6 ↓
Mid Mid (pH 6-8) 1.46 8.19 -58.85 3 9 1 130 453.548 6 ↓

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