UCSF

ZINC61364370

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 Yes

Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thieno[3,2-d]pyrimidin-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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) 3.27 8.25 -8.41 1 3 0 38 287.413 2 ↓
Lo Low (pH 4.5-6) 3.27 8.71 -29.84 2 3 1 39 288.421 2 ↓

Activity (Go SEA)

Rings

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

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