UCSF

ZINC37818272

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 No

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

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) -0.96 -0.25 -13.69 4 7 0 105 288.307 1 ↓
Hi High (pH 8-9.5) -0.78 -2.93 -45.98 3 7 -1 111 287.299 1 ↓

Activity (Go SEA)

Rings

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