UCSF

ZINC62029712

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Popular Name: (1S)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-methoxypropyl)-N-methyl-ethane-1,2-diamine (1S)-1-(5-bromo-2,3-dihydro-1,4-…

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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) 1.43 2.66 -51 3 5 1 59 360.272 7 ↓
Lo Low (pH 4.5-6) 1.43 4.64 -129.38 4 5 2 60 361.28 7 ↓

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Rings

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

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