UCSF

ZINC16701138

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 No

Popular Name: (5S)-5-(3,4-dichlorophenyl)-1-(3-dimethylaminopropyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5H-pyr (5S)-5-(3,4-dichlorophenyl)-1-(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) 4.77 12.14 -70.16 1 6 0 74 491.415 9 ↓
Mid Mid (pH 6-8) 5.22 11.02 -58.1 2 6 1 71 492.423 8 ↓
Mid Mid (pH 6-8) 4.19 12.03 -57.1 1 6 1 68 492.423 9 ↓

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