UCSF

ZINC67955346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: 3-[(3-butanoyl-3,9-diazaspiro[5.6]dodecan-9-yl)methyl]benzonitrile 3-[(3-butanoyl-3,9-diazaspiro[5.…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.41 11.98 -54.52 1 4 1 49 354.518 4 ↓
Hi High (pH 8-9.5) 3.41 10.45 -11.18 0 4 0 47 353.51 4 ↓

Activity (Go SEA)

Rings

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

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