UCSF

ZINC20130173

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 No

Popular Name: (8R,8aR)-6-amino-8-(4-butoxy-3-methoxy-phenyl)-2-isopropyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tri (8R,8aR)-6-amino-8-(4-butoxy-3-m…

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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) 4.12 7.97 -13.39 2 7 0 119 445.567 7 ↓
Lo Low (pH 4.5-6) 4.12 7.83 -51.46 3 7 1 121 446.575 7 ↓

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

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