UCSF

ZINC09421861

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 27 Yes

Popular Name: 7-(5-bromo-2-pyridinyl)-8,9-dimethyl-2-(3-pyridinyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine 7-(5-bromo-2-pyridinyl)-8,9-dime…

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) 3.67 13.96 -11.44 0 7 0 74 420.274 2 ↓
Lo Low (pH 4.5-6) 3.67 13.98 -39.94 1 7 1 75 421.282 2 ↓

Activity (Go SEA)

Rings

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

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