UCSF

ZINC08439542

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 39 No

Popular Name: 3-[2-(dimethylamino)ethyl] 5-{2-[(3-pyridinylcarbonyl)amino]ethyl} 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 3-[2-(dimethylamino)ethyl] 5-{2-…

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Other Names:

MFCD04153607

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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) 3.14 -0.1 -51.32 2 12 1 157 538.581 13 ↓
Mid Mid (pH 6-8) 3.32 -0.09 -53.37 2 12 1 157 538.581 13 ↓
Mid Mid (pH 6-8) 3.32 1.25 -52.27 2 12 1 157 538.581 13 ↓
Mid Mid (pH 6-8) 3.14 -0.05 -57.87 2 12 1 157 538.581 13 ↓

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