UCSF

ZINC09560717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 28 Yes

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

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) 1.05 8.58 -137.55 0 10 -2 135 465.289 3 ↓
Hi High (pH 8-9.5) 1.05 -4.31 -61.17 1 10 -1 131 466.297 3 ↓
Mid Mid (pH 6-8) 1.05 8.49 -63.66 1 10 -1 133 466.297 3 ↓

Activity (Go SEA)

Rings

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

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