UCSF

ZINC71524057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 Yes

Popular Name: [1-(3-Chlorobenzyl)-1H-imidazol-4-yl]methanamine hydrochloride [1-(3-Chlorobenzyl)-1H-imidazol-…

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CAS Number: 1439897-80-9

Other Names:

MFCD25541777

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.67 6.23 -43.28 3 3 1 45 222.699 3 ↓
Hi High (pH 8-9.5) 1.67 5.83 -9.32 2 3 0 44 221.691 3 ↓

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

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