UCSF

ZINC36204675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 24 Yes

Popular Name: 2-[[(2-hydroxy-2-methyl-propyl)-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidi 2-[[(2-hydroxy-2-methyl-propyl)-…

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) 1.68 6.01 -55.32 3 6 1 80 354.496 8 ↓
Hi High (pH 8-9.5) 1.68 4.82 -13.62 2 6 0 78 353.488 8 ↓
Hi High (pH 8-9.5) 2.14 2.63 -40.94 2 6 0 83 353.488 8 ↓

Activity (Go SEA)

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