UCSF

ZINC35628768

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 Yes

Popular Name: 2-[(1S)-1-[[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]amino]ethyl]-4-methyl-phenol 2-[(1S)-1-[[(2R)-2-(dimethylamin…

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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) 3.29 4.88 -39.87 3 4 1 53 289.399 6 ↓
Mid Mid (pH 6-8) 3.29 3.4 -5.11 2 4 0 49 288.391 6 ↓
Lo Low (pH 4.5-6) 3.29 6.82 -115.9 4 4 2 54 290.407 6 ↓

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

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