UCSF

ZINC61486415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 17 No

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

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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) 0.69 2.81 -50.58 2 4 1 51 261.411 6 ↓
Mid Mid (pH 6-8) 0.69 1.62 -58.34 2 4 1 54 261.411 6 ↓
Mid Mid (pH 6-8) 0.69 0.48 -10.84 1 4 0 49 260.403 6 ↓
Mid Mid (pH 6-8) 0.69 3.95 -144.25 3 4 2 55 262.419 6 ↓

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

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