UCSF

ZINC34668881

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 Yes

Popular Name: 5-[[1,3-benzodioxol-5-ylmethyl(2-morpholinoethyl)amino]methyl]-N-isobutyl-furan-2-carboxamide 5-[[1,3-benzodioxol-5-ylmethyl(2…

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Download: MOL2 SDF SMILES Flexibase

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) 2.72 4.67 -13.05 1 8 0 76 443.544 10 ↓
Mid Mid (pH 6-8) 2.72 6.75 -57.72 2 8 1 78 444.552 10 ↓
Lo Low (pH 4.5-6) 2.72 6.93 -52.7 2 8 1 78 444.552 10 ↓
Lo Low (pH 4.5-6) 2.72 9.01 -146.32 3 8 2 79 445.56 10 ↓

Activity (Go SEA)

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