UCSF

ZINC67541965

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: 7-[[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]methyl]-5H-[1,3]dioxolo[4,5-g]qu 7-[[(4aS,8aS)-4a-hydroxy-1,3,4,5…

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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) 2.10 4.95 -40.41 3 6 1 76 357.43 2 ↓

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Rings

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

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