UCSF

ZINC65508207

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (9aS)-8-[4-(4-methylpiperazin-1-yl)benzoyl]-3,4,6,7,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazin-1-one (9aS)-8-[4-(4-methylpiperazin-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) -0.26 4.02 -56.83 2 7 1 60 358.466 2 ↓
Mid Mid (pH 6-8) -0.26 1.65 -16.93 1 7 0 59 357.458 2 ↓

Activity (Go SEA)

Rings

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

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