UCSF

ZINC69481913

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 38 No

Popular Name: (2S,4aR,6aS,6aR,6bR,8aS,9R,10R,11S,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2, (2S,4aR,6aS,6aR,6bR,8aS,9R,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) 3.95 6.13 -56.22 3 7 -1 127 531.71 4 ↓
Lo Low (pH 4.5-6) 3.95 4.3 -17.03 4 7 0 124 532.718 4 ↓

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

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