UCSF

ZINC66123998

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 36 No

Popular Name: (3S,4S,4aS,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-3,12-dihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a, (3S,4S,4aS,6aR,6bS,8aS,11R,12R,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) 4.55 9.61 -102.19 2 6 -2 121 500.676 2 ↓
Lo Low (pH 4.5-6) 4.55 7.89 -44.88 3 6 -1 118 501.684 2 ↓

Activity (Go SEA)

Rings

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

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