UCSF

ZINC20000301

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 No

Popular Name: (8R,8aS)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricar (8R,8aS)-2-acetyl-6-amino-8-(3-e…

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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) 2.63 8.82 -16.11 2 8 0 136 445.523 6 ↓
Lo Low (pH 4.5-6) 2.63 8.65 -62.16 3 8 1 138 446.531 6 ↓

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

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