UCSF

ZINC38140517

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 33 No

Popular Name: (4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10, (4aS,6aS,6aS,6bR,8aR,10S,12aR,14…

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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) 6.73 12.26 -51.96 1 3 -1 60 455.703 1 ↓
Lo Low (pH 4.5-6) 6.73 10.34 -5.98 2 3 0 58 456.711 1 ↓

Activity (Go SEA)

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

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