UCSF

ZINC53386020

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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-[(3-methyl-2-thienyl)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) 1.32 2.48 -55.68 2 4 1 54 303.473 6 ↓
Mid Mid (pH 6-8) 1.32 1.12 -12.09 1 4 0 49 302.465 6 ↓
Lo Low (pH 4.5-6) 1.32 3.37 -57.04 2 4 1 51 303.473 6 ↓
Lo Low (pH 4.5-6) 1.32 4.74 -147.38 3 4 2 55 304.481 6 ↓

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Rings

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

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