UCSF

ZINC58569477

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 47 No

Popular Name: [4-[[(1S)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-trimethoxy-me [4-[[(1S)-6-hydroxy-7-methoxy-2-…

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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) 5.78 13.79 -103.51 4 9 2 95 640.777 8 ↓
Hi High (pH 8-9.5) 5.78 9.65 -15.94 2 9 0 93 638.761 8 ↓
Mid Mid (pH 6-8) 5.78 12 -51.56 3 9 1 94 639.769 8 ↓

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

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