UCSF

ZINC20122043

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 Yes

Popular Name: 4-[[[(2S)-2-dimethylamino-2-(2-furyl)ethyl]amino]methyl]phenol 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) 1.89 3.38 -44.8 3 4 1 53 261.345 6 ↓
Hi High (pH 8-9.5) 1.89 1.69 -7.55 2 4 0 49 260.337 6 ↓
Lo Low (pH 4.5-6) 1.89 5.69 -129.64 4 4 2 54 262.353 6 ↓

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

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