UCSF

ZINC09560747

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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) 2.49 -4.78 -14.73 2 8 0 109 361.427 5 ↓
Hi High (pH 8-9.5) 2.49 -4.23 -39.72 1 8 -1 111 360.419 5 ↓

Activity (Go SEA)

Rings

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