UCSF

ZINC13634111

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 37 No

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

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Other Names:

MFCD01446357

Download: MOL2 SDF SMILES Flexibase

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) 5.94 12.27 -12.29 0 7 0 83 505.611 9 ↓
Mid Mid (pH 6-8) 5.94 12.24 -15.42 0 7 0 83 505.611 9 ↓
Mid Mid (pH 6-8) 6.12 11.22 -13.12 0 7 0 83 505.611 9 ↓

Activity (Go SEA)

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