UCSF

ZINC69481916

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 37 No

Popular Name: (2S,4aR,6aS,6aR,6bR,8aS,9R,10R,11S,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentam (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) 3.34 6.05 -129.57 3 7 -2 141 516.675 3 ↓
Lo Low (pH 4.5-6) 3.34 4.23 -63.71 4 7 -1 138 517.683 3 ↓
Lo Low (pH 4.5-6) 3.34 4.08 -55.6 4 7 -1 138 517.683 3 ↓

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

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