UCSF

ZINC36532572

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 34 No

Popular Name: (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4 (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR…

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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) 5.55 9.24 -54.84 2 4 -1 81 471.702 2 ↓
Lo Low (pH 4.5-6) 5.55 7.28 -7.72 3 4 0 78 472.71 2 ↓

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

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