UCSF

ZINC66058861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 35 No

Popular Name: (1R,2S,4aR,4bS,6aS,9S,10aR,12aS)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-1,4a,4b,6a,9-pentamethyl-3,4 (1R,2S,4aR,4bS,6aS,9S,10aR,12aS)…

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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) 5.46 14.42 -191.34 0 6 -3 120 485.641 4 ↓
Lo Low (pH 4.5-6) 5.46 12.79 -105.8 1 6 -2 118 486.649 4 ↓

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Rings

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

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