UCSF

ZINC67460420

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: [4-(diethylamino)phenyl]-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone [4-(diethylamino)phenyl]-(3,7-di…

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) 2.41 9.24 -52.92 1 5 1 31 373.565 4 ↓
Mid Mid (pH 6-8) 2.41 9.35 -85.9 2 5 0 32 374.573 4 ↓
Lo Low (pH 4.5-6) 2.41 11.61 -88.27 3 5 0 34 375.581 4 ↓

Activity (Go SEA)

Rings

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

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