UCSF

ZINC04025076

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 23 Yes

Popular Name: 4-(2,4-dichlorophenyl)-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydro-3-pyridinecarboxylic acid 4-(2,4-dichlorophenyl)-5-(methox…

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CAS Number: 439120-57-7

Other Names:

MFCD03012353

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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) 3.79 -0.21 -36.5 0 5 -1 78 355.197 4 ↓
Mid Mid (pH 6-8) 3.79 -0.23 -45.72 0 5 -1 78 355.197 4 ↓
Mid Mid (pH 6-8) 3.97 1.04 -38.18 0 5 -1 78 355.197 4 ↓
Mid Mid (pH 6-8) 3.97 -0.11 -41.76 0 5 -1 78 355.197 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 155 - 156 KeyOrganics

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