UCSF

ZINC20122136

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 No

Popular Name: 4-[[[(2S)-2-dimethylamino-2-(2-furyl)ethyl]amino]methyl]benzene-1,2-diol 4-[[[(2S)-2-dimethylamino-2-(2-f…

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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) 1.40 1.3 -48.45 4 5 1 73 277.344 6 ↓
Hi High (pH 8-9.5) 1.40 -0.31 -9.51 3 5 0 69 276.336 6 ↓
Lo Low (pH 4.5-6) 1.40 3.71 -135.73 5 5 2 75 278.352 6 ↓

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

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