UCSF

ZINC65499235

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 No

Popular Name: (2S,3aS)-2-[(3S)-5-tert-butyl-3H-pyrazol-3-yl]-7,7-dimethyl-2,3,3a,5,6,8-hexahydroimidazo[4,5-c]azep (2S,3aS)-2-[(3S)-5-tert-butyl-3H…

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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) 2.30 -0.99 -12.59 2 6 0 78 303.41 2 ↓
Lo Low (pH 4.5-6) 2.30 -0.09 -41.96 3 6 1 80 304.418 2 ↓

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

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