UCSF

ZINC67540246

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 23 Yes

Popular Name: 7,10-dimethyl-3-[(2,4,5-trimethylphenyl)methyl]-3,7,10-triazaspiro[5.5]undecane 7,10-dimethyl-3-[(2,4,5-trimethy…

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) 3.33 7.91 -33.22 1 3 1 11 316.513 2 ↓
Hi High (pH 8-9.5) 3.33 8.12 -34.62 1 3 1 11 316.513 2 ↓
Hi High (pH 8-9.5) 3.33 6.23 -2.14 0 3 0 10 315.505 2 ↓
Lo Low (pH 4.5-6) 3.33 10.25 -102.68 2 3 2 12 317.521 2 ↓

Activity (Go SEA)

Rings

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

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