UCSF

ZINC67946438

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[isoxazol-5-ylmethyl(methyl)amino]methyl]-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)be 3-[[isoxazol-5-ylmethyl(methyl)a…

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) 1.96 9.77 -55.95 2 7 1 77 366.445 6 ↓
Mid Mid (pH 6-8) 1.96 7.43 -16.98 1 7 0 76 365.437 6 ↓

Activity (Go SEA)

Rings

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

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