UCSF

ZINC11843494

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 24 Yes

Popular Name: N-[[(1S)-isochroman-1-yl]methyl]-N',N'-dimethyl-[1,2,5]oxadiazolo[3,4-e]pyrazine-5,6-diamine N-[[(1S)-isochroman-1-yl]methyl]…

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) 2.25 -2.83 -9.37 1 8 0 89 326.36 4 ↓

Activity (Go SEA)

Rings

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