UCSF

ZINC38599390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 No

Popular Name: (1S,2E,4E,5R)-2,4-bis[(3-bromo-4-hydroxy-phenyl)methylene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one (1S,2E,4E,5R)-2,4-bis[(3-bromo-4…

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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) 5.36 5.65 -9.9 2 4 0 61 505.206 2 ↓
Hi High (pH 8-9.5) 5.36 6.41 -42.43 1 4 -1 64 504.198 2 ↓
Hi High (pH 8-9.5) 5.36 6.42 -42.38 1 4 -1 64 504.198 2 ↓
Lo Low (pH 4.5-6) 5.36 7.94 -44.86 3 4 1 62 506.214 2 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.