UCSF

ZINC00628991

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 No

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

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Other Names:

MFCD04153605

Download: MOL2 SDF SMILES Flexibase

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) 3.87 11.92 -42.51 2 10 1 118 473.55 10 ↓
Mid Mid (pH 6-8) 3.87 11.79 -40.11 2 10 1 118 473.55 10 ↓
Mid Mid (pH 6-8) 3.87 9.45 -17.72 1 10 0 117 472.542 10 ↓

Activity (Go SEA)

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