UCSF

ZINC67727353

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: N-[[7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepin-3 N-[[7-(7-methylthieno[3,2-d]pyri…

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) 0.22 6.72 -16 1 8 0 89 357.443 3 ↓
Lo Low (pH 4.5-6) 0.22 7.17 -42.72 2 8 1 90 358.451 3 ↓

Activity (Go SEA)

Rings

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

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