UCSF

ZINC62767722

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2011 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]-N…

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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 -0.43 -56.22 2 5 1 63 277.41 5 ↓
Hi High (pH 8-9.5) 0.02 -1.57 -11.64 1 5 0 59 276.402 5 ↓
Lo Low (pH 4.5-6) 0.02 2.05 -144.23 3 5 2 64 278.418 5 ↓

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

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