UCSF

ZINC20122053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: 4-[[[(2R)-2-dimethylamino-2-(2-furyl)ethyl]amino]methyl]-2-methoxy-phenol 4-[[[(2R)-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) 1.70 3.55 -47.95 3 5 1 62 291.371 7 ↓
Hi High (pH 8-9.5) 1.70 2.23 -6.75 2 5 0 58 290.363 7 ↓
Lo Low (pH 4.5-6) 1.70 5.82 -132.45 4 5 2 64 292.379 7 ↓

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

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