UCSF

ZINC20309634

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-5-(4-nitrophenyl)-5H-pyrrol- (5S)-1-(2-dimethylaminoethyl)-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) 2.34 8.44 -81.55 2 10 0 140 441.44 8 ↓
Hi High (pH 8-9.5) 2.34 6.93 -125.34 0 10 -2 142 439.424 8 ↓
Mid Mid (pH 6-8) 2.34 9.46 -135.31 1 10 -1 143 440.432 8 ↓

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