UCSF

ZINC49550294

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 38 Yes

Popular Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy] 2-[(6,7-dimethoxy-3,4-dihydro-1H…

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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) 1.81 13.26 -83.9 1 9 1 86 520.606 8 ↓
Mid Mid (pH 6-8) 1.81 10.99 -33.22 0 9 0 85 519.598 8 ↓

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Rings

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

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