UCSF

ZINC62321833

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 20 Yes

Popular Name: (2R,4S)-4-isopropyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclohexanone (2R,4S)-4-isopropyl-2-[[methyl-[…

Find On: PubMed — Wikipedia — Google

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) 2.36 7.93 -31.38 1 4 1 39 278.42 5 ↓
Hi High (pH 8-9.5) 2.36 7.3 -8.99 0 4 0 38 277.412 5 ↓
Lo Low (pH 4.5-6) 2.36 9.37 -42.22 1 4 1 39 278.42 5 ↓

Activity (Go SEA)

Rings

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

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