UCSF

ZINC35746938

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 23 Yes

Popular Name: 2-[[[(2S)-2-hydroxypropyl]-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-o 2-[[[(2S)-2-hydroxypropyl]-(3-me…

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) 1.24 4.63 -51.07 3 6 1 80 340.469 8 ↓
Hi High (pH 8-9.5) 1.24 2.48 -13.75 2 6 0 78 339.461 8 ↓
Hi High (pH 8-9.5) 1.70 2.04 -46.27 2 6 0 83 339.461 8 ↓

Activity (Go SEA)

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