UCSF

ZINC58518725

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 13 Yes

Popular Name: (3S)-3,7-dimethyl-3,4-dihydro-2H-isoquinolin-1-one (3S)-3,7-dimethyl-3,4-dihydro-2H…

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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) 1.88 4.29 -9.8 1 2 0 29 175.231 0 ↓

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

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