UCSF

ZINC62605622

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 14 Yes

Popular Name: (7S)-7-methyl-1,2,3,4,6,7,8,9-octahydropyrazino[1,2-a]benzimidazole (7S)-7-methyl-1,2,3,4,6,7,8,9-oc…

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) 1.23 4.4 -23.86 2 3 1 31 192.286 0 ↓
Lo Low (pH 4.5-6) 1.23 5.34 -48.85 2 3 1 34 192.286 0 ↓

Activity (Go SEA)

Rings

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

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