UCSF

ZINC08439419

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 37 No

Popular Name: 3-{2-[4-(acetylamino)phenoxy]ethyl} 5-methyl 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate 3-{2-[4-(acetylamino)phenoxy]eth…

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Other Names:

MFCD04153572

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.33 1 -21.17 1 11 0 149 509.515 11 ↓
Mid Mid (pH 6-8) 4.51 0.92 -19.52 1 11 0 149 509.515 11 ↓
Mid Mid (pH 6-8) 4.51 2.32 -23.43 1 11 0 149 509.515 11 ↓
Mid Mid (pH 6-8) 4.33 0.87 -20.21 1 11 0 149 509.515 11 ↓

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