UCSF

ZINC41660768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 No

Popular Name: (1S)-1-(2,4-dibromophenyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]ethanamine (1S)-1-(2,4-dibromophenyl)-N-[[(…

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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) 3.51 5.69 -66.28 2 3 1 51 412.167 4 ↓
Hi High (pH 8-9.5) 3.51 4.56 -12.67 1 3 0 46 411.159 4 ↓

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

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