UCSF

ZINC67727050

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 9-[2-[(1S,4S,5S)-5-bicyclo[2.2.1]hept-2-enyl]acetyl]-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-[2-[(1S,4S,5S)-5-bicyclo[2.2.1…

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) 1.29 6.21 -51.54 2 5 1 54 318.441 2 ↓
Mid Mid (pH 6-8) 1.29 4.05 -11.56 1 5 0 53 317.433 2 ↓

Activity (Go SEA)

Rings

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

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