UCSF

ZINC53386010

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N'-[[(3S)-tetrahydrofuran-3-yl]methyl]ethane-1,2-diamine N-[(3R)-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) -0.22 -0.34 -57.67 2 5 1 63 277.41 6 ↓
Hi High (pH 8-9.5) -0.22 -1.67 -12.19 1 5 0 59 276.402 6 ↓
Lo Low (pH 4.5-6) -0.22 2.14 -144.87 3 5 2 64 278.418 6 ↓

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

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