UCSF

ZINC08441899

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: 6-amino-8-(3-ethoxy-4-isopropoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile 6-amino-8-(3-ethoxy-4-isopropoxy…

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Other Names:

MFCD02950165

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Annotations

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Vendors

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) 3.59 2.98 -61.66 2 7 1 118 432.548 6 ↓
Mid Mid (pH 6-8) 3.59 2.81 -118.19 3 7 2 119 433.556 6 ↓

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