UCSF

ZINC65503098

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 21 Yes

Popular Name: (1R,6S)-4-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-4,9-diazabicyclo[4.2.1]nonane (1R,6S)-4-[[4-(1,2,4-triazol-1-y…

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) 0.83 8.96 -46.79 2 5 1 47 284.387 3 ↓
Lo Low (pH 4.5-6) 0.83 10.16 -122.37 3 5 2 52 285.395 3 ↓
Lo Low (pH 4.5-6) 0.83 8.42 -39.53 2 5 1 51 284.387 3 ↓

Activity (Go SEA)

Rings

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

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