UCSF

ZINC09382549

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 31 No

Popular Name: 8,10-dimethyl-3-(4-nitrophenyl)-5-(3-pyridylmethylsulfanyl)-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5 8,10-dimethyl-3-(4-nitrophenyl)-…

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) 2.31 0.06 -12.26 0 10 0 129 436.453 5 ↓
Lo Low (pH 4.5-6) 2.31 0.17 -45.08 1 10 1 129 437.461 5 ↓

Activity (Go SEA)

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