UCSF

ZINC04061968

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 34 No

Popular Name: benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate benzyl 4-(6-chloro-1,3-benzodiox…

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Other Names:

MFCD00771010

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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) 5.70 0.26 -9.07 0 6 0 74 479.96 5 ↓
Mid Mid (pH 6-8) 5.70 0.64 -12.59 0 6 0 74 479.96 5 ↓
Mid Mid (pH 6-8) 5.88 1.72 -16.1 0 6 0 74 479.96 5 ↓
Mid Mid (pH 6-8) 5.88 0.76 -10.26 0 6 0 74 479.96 5 ↓

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