UCSF

ZINC20122060

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

Popular Name: (1S)-1-(2-furyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-ethane-1,2-diamine (1S)-1-(2-furyl)-N'-[(4-methoxyp…

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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) 2.42 5.53 -43.71 2 4 1 42 275.372 7 ↓
Hi High (pH 8-9.5) 2.42 3.85 -5.7 1 4 0 38 274.364 7 ↓
Lo Low (pH 4.5-6) 2.42 7.87 -129.62 3 4 2 43 276.38 7 ↓

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

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