UCSF

ZINC49236086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 18 Yes

Popular Name: N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]thieno[3,2-d]pyrimidin-4-amine N-[(1R)-2-imidazol-1-yl-1-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) 1.29 8.37 -39.57 2 5 1 57 260.346 4 ↓
Mid Mid (pH 6-8) 1.29 7.85 -13.66 1 5 0 56 259.338 4 ↓
Lo Low (pH 4.5-6) 1.29 8.83 -79.83 3 5 2 58 261.354 4 ↓

Activity (Go SEA)

Rings

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

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