UCSF

ZINC69560220

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 Yes

Popular Name: 3-methyl-7-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine 3-methyl-7-[(1S)-1-[4-(trifluoro…

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) 2.17 8.36 -11.73 0 4 0 34 310.323 3 ↓
Lo Low (pH 4.5-6) 2.17 10.39 -54.81 1 4 1 35 311.331 3 ↓

Activity (Go SEA)

Rings

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

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