UCSF

ZINC55153202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 Yes

Popular Name: (3R)-2-[[2-(2-dimethylaminoethyloxy)-3-methoxy-phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxam (3R)-2-[[2-(2-dimethylaminoethyl…

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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) 2.26 7.6 -29.45 3 6 1 69 384.5 8 ↓
Hi High (pH 8-9.5) 2.26 5.08 -11.83 2 6 0 68 383.492 8 ↓
Lo Low (pH 4.5-6) 2.26 8.76 -84.32 4 6 2 70 385.508 8 ↓

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

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