UCSF

ZINC51171563

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 21 Yes

Popular Name: (1S)-1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(5-chloro-2-thienyl)-N-methyl-methanamine (1S)-1-(7-bromo-3,4-dihydro-2H-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) 4.49 7.99 -42.16 2 3 1 35 389.722 3 ↓
Mid Mid (pH 6-8) 4.49 7.05 -5.31 1 3 0 30 388.714 3 ↓

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

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