UCSF

ZINC04066346

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 34 No

Popular Name: pentyl 2,7,7-trimethyl-4-[3-(methyloxy)-4-(propyloxy)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate pentyl 2,7,7-trimethyl-4-[3-(met…

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Other Names:

MFCD00753226

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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) 6.55 2.1 -9.34 0 6 0 74 469.622 11 ↓
Mid Mid (pH 6-8) 6.73 1.05 -10.2 0 6 0 74 469.622 11 ↓
Mid Mid (pH 6-8) 6.55 2.09 -12.77 0 6 0 74 469.622 11 ↓

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