UCSF

ZINC42035151

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 24 No

Popular Name: N-[(4-dimethylaminophenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-ethyl-acetamide N-[(4-dimethylaminophenyl)methyl…

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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) 1.58 7.04 -21.28 0 5 0 58 370.54 7 ↓
Lo Low (pH 4.5-6) 1.58 7.83 -95.04 1 5 0 59 371.548 7 ↓

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

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