UCSF

ZINC69683923

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 14 Yes

Popular Name: (3R)-N-(1-methylimidazol-2-yl)azepan-3-amine (3R)-N-(1-methylimidazol-2-yl)az…

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) 0.50 6.22 -90.06 4 4 2 48 196.298 2 ↓
Hi High (pH 8-9.5) 0.50 5.76 -44.61 3 4 1 46 195.29 2 ↓
Hi High (pH 8-9.5) 0.50 4.93 -25.66 3 4 1 43 195.29 2 ↓

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

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