UCSF

ZINC53438443

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-(3-furylmethyl)-N-methyl-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) -0.01 -0.54 -13.16 1 5 0 63 272.37 6 ↓
Mid Mid (pH 6-8) -0.01 1.78 -52.32 2 5 1 64 273.378 6 ↓
Lo Low (pH 4.5-6) -0.01 2.93 -146.42 3 5 2 68 274.386 6 ↓
Lo Low (pH 4.5-6) -0.01 0.6 -61.84 2 5 1 67 273.378 6 ↓

Activity (Go SEA)

Rings

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

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