UCSF

ZINC67447258

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-9-azaspiro[5.5]undecan-3-amine N-[[2-(1,2,4-triazol-1-yl)phenyl…

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 10.84 -88.41 4 5 2 64 327.476 4 ↓
Hi High (pH 8-9.5) 1.29 9.63 -43.13 3 5 1 59 326.468 4 ↓

Activity (Go SEA)

Rings

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

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