UCSF

ZINC08439411

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 No

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

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Other Names:

MFCD04153567

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) 4.08 1.03 -13.35 0 8 0 110 466.581 12 ↓
Mid Mid (pH 6-8) 4.26 1.04 -12.73 0 8 0 110 466.581 12 ↓
Mid Mid (pH 6-8) 4.26 2.38 -14.96 0 8 0 110 466.581 12 ↓
Mid Mid (pH 6-8) 4.08 1.08 -13.86 0 8 0 110 466.581 12 ↓

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

No pre-computed analogs available. Try a structural similarity search.