UCSF

ZINC69688219

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 No

Popular Name: (3aS,7aR)-2-[[(5-bromo-2-furyl)methyl-methyl-amino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-[[(5-bromo-2-furyl)m…

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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) 2.11 8.22 -39.16 1 5 1 55 354.224 4 ↓
Hi High (pH 8-9.5) 2.11 5.78 -7.84 0 5 0 54 353.216 4 ↓

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

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