UCSF

ZINC69684001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 16 Yes

Popular Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)azepan-3-amine (3R)-N-(4,6-dimethylpyrimidin-2-…

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) 1.60 5.83 -42.03 3 4 1 54 221.328 2 ↓
Hi High (pH 8-9.5) 1.60 4.57 -5.89 2 4 0 50 220.32 2 ↓
Lo Low (pH 4.5-6) 1.60 6.14 -89.94 4 4 2 56 222.336 2 ↓

Activity (Go SEA)

Rings

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

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