UCSF

ZINC62321818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 16 Yes

Popular Name: (2R)-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopentanone (2R)-2-[[methyl-[(1-methylimidaz…

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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) 0.35 5.46 -32.76 1 4 1 39 222.312 4 ↓
Hi High (pH 8-9.5) 0.35 5.16 -13.7 0 4 0 38 221.304 4 ↓
Lo Low (pH 4.5-6) 0.35 7.6 -109.18 2 4 2 41 223.32 4 ↓
Lo Low (pH 4.5-6) 0.35 6.96 -42.47 1 4 1 39 222.312 4 ↓

Activity (Go SEA)

Rings

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

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