UCSF

ZINC49783798

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 36 No

Popular Name: (1S,2R,4aS,6aR,6aR,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a (1S,2R,4aS,6aR,6aR,6bR,8aR,10R,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) 4.58 9.46 -113.09 2 6 -2 121 500.676 2 ↓
Lo Low (pH 4.5-6) 4.58 5.91 -8.24 4 6 0 115 502.692 2 ↓
Lo Low (pH 4.5-6) 4.58 7.72 -53.66 3 6 -1 118 501.684 2 ↓
Lo Low (pH 4.5-6) 4.58 7.66 -48.25 3 6 -1 118 501.684 2 ↓

Activity (Go SEA)

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