UCSF

ZINC22780494

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 No

Popular Name: 1-[(1R,4aS,8aR)-4a-hydroxy-1-(2-hydroxy-5-nitro-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]e 1-[(1R,4aS,8aR)-4a-hydroxy-1-(2-…

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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) 2.50 4.97 -17.39 2 7 0 107 334.372 2 ↓
Mid Mid (pH 6-8) 2.50 5.73 -38.24 1 7 -1 109 333.364 2 ↓

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

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