UCSF

ZINC69482207

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: (1R,5S,6S,8aR)-5-[(3R)-4-hydroxy-3-methyl-4-oxo-butyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphtha (1R,5S,6S,8aR)-5-[(3R)-4-hydroxy…

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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) 3.94 11.33 -98.55 0 4 -2 80 320.429 5 ↓
Lo Low (pH 4.5-6) 3.94 9.32 -49.54 1 4 -1 77 321.437 5 ↓

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

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