UCSF

ZINC13552200

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl-hydroxy-methylene)-1-(3-dimethylaminopropyl)-5-(3-nitrop (4E,5R)-4-(2,3-dihydro-1,4-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) 2.12 10.42 -77 1 10 0 129 467.478 8 ↓
Mid Mid (pH 6-8) 2.57 10.06 -54.25 2 10 1 126 468.486 7 ↓
Mid Mid (pH 6-8) 1.54 10.77 -55.65 1 10 1 123 468.486 8 ↓

Activity (Go SEA)

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