UCSF

ZINC61409396

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 No

Popular Name: 2-(3-pyridylmethyl)-2,4,8-triazaspiro[4.5]decane-1,3-dione 2-(3-pyridylmethyl)-2,4,8-triaza…

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) -0.77 2.4 -54.51 3 6 1 79 261.305 2 ↓
Hi High (pH 8-9.5) -0.77 1.08 -8.29 2 6 0 74 260.297 2 ↓

Activity (Go SEA)

Rings

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

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