UCSF

ZINC09560722

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 25 Yes

Popular Name: N-(2-hydroxy-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-3-yl)-4-isobutyl-benzenesulf N-(2-hydroxy-4-methyl-1,5,7,9-te…

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) 2.18 8.27 -46.12 1 8 -1 112 360.419 5 ↓
Hi High (pH 8-9.5) 2.18 -3.7 -40.01 1 8 -1 111 360.419 5 ↓
Mid Mid (pH 6-8) 2.18 8.36 -108.64 0 8 -2 114 359.411 5 ↓

Activity (Go SEA)

Rings

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

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