UCSF

ZINC33751850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 No

Popular Name: (4E,5R)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(2-morpholinoethyl)-5-(4-pyridyl)py (4E,5R)-4-[2,3-dihydro-1,4-benzo…

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Download: MOL2 SDF SMILES Flexibase

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) 0.47 4.75 -41.08 0 9 -1 104 450.471 6 ↓
Mid Mid (pH 6-8) 0.47 7.09 -53.16 1 9 0 105 451.479 6 ↓
Lo Low (pH 4.5-6) 0.47 5.96 -58.73 2 9 1 103 452.487 6 ↓

Activity (Go SEA)

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