UCSF

ZINC53377201

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 No

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

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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) 0.39 2.24 -45.08 2 4 1 51 247.384 6 ↓
Hi High (pH 8-9.5) 0.39 -0.19 -10.5 1 4 0 49 246.376 6 ↓
Mid Mid (pH 6-8) 0.39 3.37 -138.72 3 4 2 55 248.392 6 ↓

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

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