UCSF

ZINC65515990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 Yes

Popular Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]-2-[(1R,2S,4S)-norbornan-2-yl]ethanone 1-[4-[(5-methylisoxazol-3-yl)met…

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) 2.09 7.15 -14.28 0 5 0 50 317.433 4 ↓
Mid Mid (pH 6-8) 2.09 9.38 -52 1 5 1 51 318.441 4 ↓

Activity (Go SEA)

Rings

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

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