UCSF

ZINC66148128

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 Yes

Popular Name: 4-[(1S,2S,3aR,8bR)-2-hydroxy-1-[(E,3R,4R)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1 4-[(1S,2S,3aR,8bR)-2-hydroxy-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) 3.17 8.61 -58.21 2 5 -1 90 397.491 8 ↓
Lo Low (pH 4.5-6) 3.17 6.63 -15.33 3 5 0 87 398.499 8 ↓

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

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