UCSF

ZINC20261254

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 Yes

Popular Name: (1R,2S)-2-(2-methylimidazol-1-yl)-1,2-diphenyl-ethanamine (1R,2S)-2-(2-methylimidazol-1-yl…

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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) 0.78 9.32 -104.41 4 3 2 47 279.387 4 ↓
Hi High (pH 8-9.5) 0.78 8.61 -7.86 2 3 0 44 277.371 4 ↓
Mid Mid (pH 6-8) 0.78 8.88 -56.48 3 3 1 45 278.379 4 ↓

Activity (Go SEA)

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