UCSF

ZINC65525842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 26 Yes

Popular Name: (9aS)-8-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)-2-methyl-6,7,9,9a-tetrahydro-3H-pyrazino[ (9aS)-8-(2,7-dimethylpyrazolo[1,…

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) -0.68 4.98 -16.32 0 9 0 91 356.386 1 ↓

Activity (Go SEA)

Rings

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

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