UCSF

ZINC69266729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Popular Name: (4aS,7aS)-4-[(4R)-1,2,3,4-tetrahydroisoquinolin-4-yl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]o (4aS,7aS)-4-[(4R)-1,2,3,4-tetrah…

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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) 2.02 3.25 -3.19 1 3 0 24 258.365 1 ↓
Mid Mid (pH 6-8) 2.02 4.6 -44.46 2 3 1 29 259.373 1 ↓
Lo Low (pH 4.5-6) 2.02 5.09 -30.54 2 3 1 26 259.373 1 ↓

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

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