UCSF

ZINC53446865

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Substance Information

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

Popular Name: N-[(2-chlorophenyl)methyl]-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-[(2-chlorophenyl)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) 1.68 1.91 -12.76 1 4 0 49 316.854 6 ↓
Mid Mid (pH 6-8) 1.68 4.27 -50.17 2 4 1 51 317.862 6 ↓
Lo Low (pH 4.5-6) 1.68 3.05 -59.65 2 4 1 54 317.862 6 ↓
Lo Low (pH 4.5-6) 1.68 5.42 -143.08 3 4 2 55 318.87 6 ↓

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

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