UCSF

ZINC06161997

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2006 39 No

Popular Name: butyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate butyl 7-(3,4-dimethoxyphenyl)-4-…

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Other Names:

MFCD02732782

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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) 5.79 0.13 -13.95 1 8 0 103 535.637 11 ↓
Mid Mid (pH 6-8) 5.97 -1.14 -15.07 1 8 0 103 535.637 11 ↓
Mid Mid (pH 6-8) 5.79 -0.23 -17.83 1 8 0 103 535.637 11 ↓

Activity (Go SEA)

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