UCSF

ZINC20890084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 Yes

Popular Name: 1-[4-[7-hydroxy-3-(p-tolylmethyl)triazolo[5,4-d]pyrimidin-5-yl]-1-piperidyl]-2-(3-thienyl)ethanone 1-[4-[7-hydroxy-3-(p-tolylmethyl…

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) 2.46 10.1 -23.68 1 8 0 97 448.552 5 ↓
Hi High (pH 8-9.5) 2.92 7.87 -54.86 0 8 -1 100 447.544 5 ↓

Activity (Go SEA)

Rings

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