UCSF

ZINC67489720

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 21 Yes

Popular Name: [2-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-oxo-ethyl]urea [2-(3,7-dimethyl-3,7,11-triazasp…

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) -0.62 -0.21 -47.22 4 7 1 83 298.411 2 ↓
Lo Low (pH 4.5-6) -0.62 2.04 -108.63 5 7 2 84 299.419 2 ↓

Activity (Go SEA)

Rings

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

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