UCSF

ZINC20894559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 35 Yes

Popular Name: 2-(4-chlorophenoxy)-1-[4-[7-hydroxy-3-(m-tolylmethyl)triazolo[5,4-d]pyrimidin-5-yl]-1-piperidyl]etha 2-(4-chlorophenoxy)-1-[4-[7-hydr…

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) 3.40 11.61 -26.89 1 9 0 106 492.967 6 ↓
Hi High (pH 8-9.5) 3.86 9.38 -56.66 0 9 -1 109 491.959 6 ↓

Activity (Go SEA)

Rings

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

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