UCSF

ZINC69774267

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 2-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N,N,6-trimethyl-pyrimidin-4-amine 2-(2-isopropyl-1-methyl-6,7-dihy…

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) 2.76 12.34 -72.76 2 6 2 53 316.453 3 ↓
Hi High (pH 8-9.5) 2.76 11.76 -27.02 1 6 1 51 315.445 3 ↓
Hi High (pH 8-9.5) 2.76 11.53 -12.71 0 6 0 50 314.437 3 ↓
Hi High (pH 8-9.5) 2.76 12.09 -28.02 1 6 1 51 315.445 3 ↓

Activity (Go SEA)

Rings

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

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