UCSF

ZINC53424620

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Substance Information

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

Popular Name: N-[(5-chloro-2-thienyl)methyl]-N'-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-[(5-chloro-2-thienyl)methyl]-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) 1.75 3.55 -54.88 2 4 1 51 323.891 6 ↓
Mid Mid (pH 6-8) 1.75 2.4 -63.42 2 4 1 54 323.891 6 ↓
Mid Mid (pH 6-8) 1.75 4.71 -153.11 3 4 2 55 324.899 6 ↓
Mid Mid (pH 6-8) 1.75 1.22 -11.89 1 4 0 49 322.883 6 ↓

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

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