UCSF

ZINC53376909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: N-cyclopentyl-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-cyclopentyl-N'-[(3S)-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) 1.05 2.74 -48.77 2 4 1 51 261.411 5 ↓
Mid Mid (pH 6-8) 1.05 1.62 -58.64 2 4 1 54 261.411 5 ↓
Mid Mid (pH 6-8) 1.05 0.48 -10.83 1 4 0 49 260.403 5 ↓
Mid Mid (pH 6-8) 1.05 3.9 -142.74 3 4 2 55 262.419 5 ↓

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Rings

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

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