UCSF

ZINC20122063

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-1-(2-furyl)-N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-ethane-1,2-diamine (1R)-1-(2-furyl)-N'-[(3-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) 2.40 6.51 -36.99 2 4 1 39 275.372 7 ↓
Hi High (pH 8-9.5) 2.40 4.33 -5.29 1 4 0 38 274.364 7 ↓
Mid Mid (pH 6-8) 2.40 5.72 -41.45 2 4 1 42 275.372 7 ↓
Lo Low (pH 4.5-6) 2.40 7.54 -116.4 3 4 2 43 276.38 7 ↓

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Rings

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

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