UCSF

ZINC69896390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 Yes

Popular Name: N-[[(1R)-isochroman-1-yl]methyl]-N-methyl-1-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanamine N-[[(1R)-isochroman-1-yl]methyl]…

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Download: MOL2 SDF SMILES Flexibase

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) 2.39 10.07 -36.08 1 4 1 32 340.369 6 ↓
Mid Mid (pH 6-8) 2.39 7.15 -10.92 0 4 0 30 339.361 6 ↓

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

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