UCSF

ZINC49543535

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 39 Yes

Popular Name: 5-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl 5-[2-(4-benzylpiperazin-1-yl)-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) 1.51 12.39 -83.43 1 9 1 86 534.633 9 ↓
Mid Mid (pH 6-8) 1.51 10.11 -33.08 0 9 0 85 533.625 9 ↓
Lo Low (pH 4.5-6) 1.51 14.6 -138.33 2 9 2 87 535.641 9 ↓

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

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