UCSF

ZINC08426105

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 33 Yes

Popular Name: dimethyl 4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate dimethyl 4-{4-[(2-chlorobenzyl)o…

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Other Names:

MFCD03272032

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) 5.46 1.92 -11.2 0 7 0 83 471.937 9 ↓
Mid Mid (pH 6-8) 5.64 3.64 -23.4 0 7 0 83 471.937 9 ↓
Mid Mid (pH 6-8) 5.46 1.93 -10.15 0 7 0 83 471.937 9 ↓
Mid Mid (pH 6-8) 5.64 2.02 -9.65 0 7 0 83 471.937 9 ↓

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

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