UCSF

ZINC69506450

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 27 Yes

Popular Name: (3R)-3-(7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-isochroman-1-one (3R)-3-(7-ethoxy-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) 3.35 10.41 -9.87 0 5 0 56 365.429 3 ↓

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

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