UCSF

ZINC13598288

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 No

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

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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) 3.53 11.68 -70.03 1 9 0 120 467.522 10 ↓
Hi High (pH 8-9.5) 3.53 9.34 -53.29 0 9 -1 119 466.514 10 ↓
Mid Mid (pH 6-8) 3.97 10.54 -62.8 2 9 1 117 468.53 9 ↓

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