UCSF

ZINC16713899

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5-(4-nitrophenyl)-5H-pyrrol- (5S)-1-(3-dimethylaminopropyl)-3…

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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) 3.07 11.95 -76.32 1 9 0 120 453.495 9 ↓
Mid Mid (pH 6-8) 3.52 10.6 -72.29 2 9 1 117 454.503 8 ↓
Mid Mid (pH 6-8) 2.49 11.83 -65.92 1 9 1 114 454.503 9 ↓

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