UCSF

ZINC53437950

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 No

Popular Name: N-[(2-bromophenyl)methyl]-N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-[(2-bromophenyl)methyl]-N'-[(3…

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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) 1.81 2.2 -11.85 1 4 0 49 361.305 6 ↓
Mid Mid (pH 6-8) 1.81 4.37 -47.89 2 4 1 51 362.313 6 ↓
Lo Low (pH 4.5-6) 1.81 5.54 -142.31 3 4 2 55 363.321 6 ↓
Lo Low (pH 4.5-6) 1.81 3.38 -59.4 2 4 1 54 362.313 6 ↓

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

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