UCSF

ZINC65491450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: (9aR)-8-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-2,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-1 (9aR)-8-[4-amino-6-(benzylamino)…

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) 0.23 7.64 -15.25 4 10 0 129 368.401 4 ↓
Lo Low (pH 4.5-6) 0.23 7.87 -34.47 5 10 1 131 369.409 4 ↓
Lo Low (pH 4.5-6) 0.23 7.98 -34.74 5 10 1 131 369.409 4 ↓

Activity (Go SEA)

Rings

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

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