UCSF

ZINC69482196

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 15 No

Popular Name: (1S,4aR,7aS)-7-(hydroxymethyl)-1-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic (1S,4aR,7aS)-7-(hydroxymethyl)-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) 0.58 3.05 -52.4 1 4 -1 70 209.221 2 ↓
Lo Low (pH 4.5-6) 0.58 1.14 -7.81 2 4 0 67 210.229 2 ↓

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

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