UCSF

ZINC13715018

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5S)-4-(3-chloro-4-methoxy-benzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2 (5S)-4-(3-chloro-4-methoxy-benzo…

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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) 3.01 10.39 -73.86 1 9 0 120 459.886 8 ↓
Hi High (pH 8-9.5) 3.01 7.85 -52.36 0 9 -1 119 458.878 8 ↓
Mid Mid (pH 6-8) 3.45 9.23 -68.33 2 9 1 117 460.894 7 ↓

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