UCSF

ZINC36206590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: 2-[[[(2S)-3-ethoxy-2-hydroxy-propyl]-propyl-amino]methyl]-5-(2-methoxyphenyl)-3H-thieno[2,3-d]pyrimi 2-[[[(2S)-3-ethoxy-2-hydroxy-pro…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.98 7.75 -55.88 3 7 1 89 432.566 11 ↓
Hi High (pH 8-9.5) 3.44 5.2 -48.41 2 7 0 92 431.558 11 ↓

Activity (Go SEA)

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