UCSF

ZINC20219518

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 No

Popular Name: (5S)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(2-thienyl)-5H (5S)-4-(2,3-dihydro-1,4-benzodio…

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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) 1.82 7.85 -76.39 1 7 0 83 414.483 6 ↓
Hi High (pH 8-9.5) 1.82 5.32 -58.86 0 7 -1 82 413.475 6 ↓
Lo Low (pH 4.5-6) 1.82 7.03 -56.35 2 7 1 81 415.491 6 ↓

Activity (Go SEA)

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