UCSF

ZINC62526933

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 25 Yes

Popular Name: [(3S,7aS)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-(5-isopropyl-3-methyl-isoxazol [(3S,7aS)-3-phenyl-1,3,5,6,7,7a-…

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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) 2.67 10.11 -42.32 1 5 1 51 340.447 3 ↓
Hi High (pH 8-9.5) 2.67 7.48 -9.18 0 5 0 50 339.439 3 ↓

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

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