UCSF

ZINC53441190

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-yl]-…

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Download: MOL2 SDF SMILES Flexibase

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) -0.58 -0.77 -15.5 1 6 0 67 286.401 6 ↓
Mid Mid (pH 6-8) -0.58 1.55 -55.77 2 6 1 68 287.409 6 ↓
Lo Low (pH 4.5-6) -0.58 2.7 -150.39 3 6 2 73 288.417 6 ↓
Lo Low (pH 4.5-6) -0.58 0.38 -65.02 2 6 1 72 287.409 6 ↓

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Rings

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

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