UCSF

ZINC19885339

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 34 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5H-pyr (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) 2.86 10.04 -77.95 1 8 0 93 468.55 10 ↓
Hi High (pH 8-9.5) 2.86 7.51 -58.99 0 8 -1 91 467.542 10 ↓

Activity (Go SEA)

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