UCSF

ZINC13080645

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 31 Yes

Popular Name: 4-(3-bromophenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide 4-(3-bromophenyl)-2,7,7-trimethy…

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Other Names:

MFCD02735902

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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) 6.21 12.86 -13.41 1 4 0 59 479.418 3 ↓
Mid Mid (pH 6-8) 6.21 13.79 -28.76 1 4 0 59 479.418 3 ↓
Mid Mid (pH 6-8) 6.37 13.59 -27.12 1 4 0 59 479.418 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.