UCSF

ZINC36158687

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 No

Popular Name: 3-[2-(aminomethyl)-3-fluoro-phenyl]-3-azaspiro[4.4]nonane-2,4-dione 3-[2-(aminomethyl)-3-fluoro-phen…

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) 1.09 5.82 -39.83 3 4 1 65 277.319 2 ↓
Hi High (pH 8-9.5) 1.09 5.34 -10.85 2 4 0 63 276.311 2 ↓

Activity (Go SEA)

Rings

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

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