UCSF

ZINC69802618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: N,N'-dimethyl-N-(3-methylisoxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine N,N'-dimethyl-N-(3-methylisoxazo…

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) 0.35 3.24 -50.42 2 6 1 72 222.272 4 ↓
Hi High (pH 8-9.5) 0.35 1.8 -9.73 1 6 0 67 221.264 4 ↓

Activity (Go SEA)

Rings

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

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