UCSF

ZINC65507433

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: (3aS,6aS)-2-[(3-chloro-4-isopropoxy-phenyl)methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4-c]pyrrole-6a-ca (3aS,6aS)-2-[(3-chloro-4-isoprop…

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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) 2.34 5.96 -47.77 2 5 0 69 338.835 5 ↓
Hi High (pH 8-9.5) 2.34 4.52 -48.45 1 5 -1 65 337.827 5 ↓
Lo Low (pH 4.5-6) 2.34 8.46 -91.33 3 5 1 70 339.843 5 ↓

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

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