UCSF

ZINC54742439

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 18 Yes

Popular Name: (11S)-6-bromo-N-methyl-3,7,8,9,10,11-hexahydro-2H-cyclohepta[h][1,4]benzodioxin-11-amine (11S)-6-bromo-N-methyl-3,7,8,9,1…

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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) 2.48 6.19 -36.36 2 3 1 35 313.215 1 ↓
Hi High (pH 8-9.5) 2.48 5.41 -4.92 1 3 0 30 312.207 1 ↓

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Rings

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

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