UCSF

ZINC13451438

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 37 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-5H (5S)-5-(3,4-dimethoxyphenyl)-1-(…

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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) 3.88 11.9 -75.35 1 8 0 93 510.631 12 ↓
Mid Mid (pH 6-8) 4.33 10.74 -59.68 2 8 1 90 511.639 11 ↓
Mid Mid (pH 6-8) 3.30 11.76 -58.8 1 8 1 87 511.639 12 ↓

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