UCSF

ZINC07389859

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2006 30 Yes

Popular Name: 3-butoxy-N-[[4-(7-oxa-2,9-diazabicyclo[4.3.0]nona-1,3,5,8-tetraen-8-yl)phenyl]methyl]benzamide 3-butoxy-N-[[4-(7-oxa-2,9-diazab…

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) 4.81 8.45 -19.12 1 6 0 77 401.466 8 ↓
Lo Low (pH 4.5-6) 4.81 8.72 -43.87 2 6 1 79 402.474 8 ↓

Activity (Go SEA)

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

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