UCSF

ZINC53385009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 No

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

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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) 0.02 -1.64 -12.02 1 5 0 59 276.402 5 ↓
Mid Mid (pH 6-8) 0.02 0.82 -52.1 2 5 1 60 277.41 5 ↓
Mid Mid (pH 6-8) 0.02 -0.5 -61.59 2 5 1 63 277.41 5 ↓
Lo Low (pH 4.5-6) 0.02 1.98 -147.3 3 5 2 64 278.418 5 ↓

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Rings

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

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