UCSF

ZINC33777465

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 No

Popular Name: (4Z,5R)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-(2-morpholinoethyl) (4Z,5R)-5-(3-bromo-4-hydroxy-5-m…

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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) 1.27 3.93 -50.48 1 9 -1 115 517.356 7 ↓
Mid Mid (pH 6-8) 1.27 6.28 -69.11 2 9 0 116 518.364 7 ↓
Mid Mid (pH 6-8) 1.27 4.69 -101.3 0 9 -2 118 516.348 7 ↓
Lo Low (pH 4.5-6) 1.27 4.98 -64.36 3 9 1 114 519.372 7 ↓

Activity (Go SEA)

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