UCSF

ZINC45320005

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 33 No

Popular Name: (4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methyl (4aR,6aR,6aS,6bR,8aR,9R,10S,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) 4.97 9.77 -49.7 2 4 -1 81 455.659 2 ↓
Lo Low (pH 4.5-6) 4.97 7.86 -7.44 3 4 0 78 456.667 2 ↓

Activity (Go SEA)

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