UCSF

ZINC04112279

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 39 No

Popular Name: 2-phenoxyethyl 4-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate 2-phenoxyethyl 4-(4-hydroxypheny…

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Other Names:

MFCD01572219

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) 6.16 -1.16 -13.01 1 7 0 94 525.601 9 ↓
Mid Mid (pH 6-8) 6.34 -0.93 -13.6 1 7 0 94 525.601 9 ↓
Mid Mid (pH 6-8) 6.34 0.06 -13.37 1 7 0 94 525.601 9 ↓
Mid Mid (pH 6-8) 6.16 -1.04 -15.43 1 7 0 94 525.601 9 ↓

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