UCSF

ZINC61698306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 15 Yes

Popular Name: (1R)-1-(3-chloro-4-imidazol-1-yl-phenyl)ethanamine (1R)-1-(3-chloro-4-imidazol-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) -0.05 6.3 -55.63 3 3 1 45 222.699 2 ↓
Mid Mid (pH 6-8) -0.05 5.96 -6.21 2 3 0 44 221.691 2 ↓
Lo Low (pH 4.5-6) -0.05 6.54 -89.69 4 3 2 47 223.707 2 ↓

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Rings

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

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