UCSF

ZINC19956294

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl) (5S)-1-(2-dimethylaminoethyl)-5-…

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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) 2.56 7.99 -78.33 2 8 0 104 454.523 9 ↓
Hi High (pH 8-9.5) 2.56 5.45 -62.01 1 8 -1 102 453.515 9 ↓
Lo Low (pH 4.5-6) 2.56 7.17 -59.67 3 8 1 101 455.531 9 ↓

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