UCSF

ZINC63934950

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 18 No

Popular Name: (5R,6S,7aS)-5-bromo-3-methyl-6-[[(2R)-4-methyl-2H-imidazol-2-yl]sulfanylmethyl]-5,6,7,7a-tetrahydroi (5R,6S,7aS)-5-bromo-3-methyl-6-[…

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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) 2.45 4.07 -9.91 2 4 0 44 347.307 3 ↓
Lo Low (pH 4.5-6) 2.45 4.47 -29.64 3 4 1 45 348.315 3 ↓

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

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