UCSF

ZINC65503168

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: (3aS,4R,7aS)-1-[(2-chlorophenyl)methyl]-4-[(4R)-2-ethyl-4-methyl-4H-imidazol-5-yl]-4,5,7,7a-tetrahyd (3aS,4R,7aS)-1-[(2-chlorophenyl)…

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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) 2.36 7.21 -39.59 3 6 1 75 372.88 4 ↓
Mid Mid (pH 6-8) 2.36 6.81 -11.51 2 6 0 73 371.872 4 ↓

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

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