UCSF

ZINC53664290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 Yes

Popular Name: [(3S)-2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl]methanamine [(3S)-2-thieno[3,2-d]pyrimidin-4…

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) 1.71 7.69 -49.86 3 4 1 57 297.407 2 ↓
Lo Low (pH 4.5-6) 1.71 8.15 -100.07 4 4 2 58 298.415 2 ↓

Activity (Go SEA)

Rings

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

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