UCSF

ZINC67982624

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 23 Yes

Popular Name: 6-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine 6-[3-(3-fluorophenyl)-6,7-dihydr…

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) 1.97 7.65 -11.83 2 6 0 81 311.32 2 ↓
Lo Low (pH 4.5-6) 1.97 8.05 -39.59 3 6 1 82 312.328 2 ↓
Lo Low (pH 4.5-6) 1.97 8.12 -39.85 3 6 1 82 312.328 2 ↓

Activity (Go SEA)

Rings

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

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