UCSF

ZINC31440816

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 34 No

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

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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) 5.84 9.16 -46.53 2 4 -1 81 471.702 1 ↓
Lo Low (pH 4.5-6) 5.84 7.41 -5.58 3 4 0 78 472.71 1 ↓

Activity (Go SEA)

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

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