UCSF

ZINC09331513

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 27 Yes

Popular Name: 5-hydroxy-7-(4-hydroxy-3,5-dimethoxy-phenyl)-3-prop-2-ynylsulfanyl-2,4,10-triazabicyclo[4.4.0]deca-1 5-hydroxy-7-(4-hydroxy-3,5-dimet…

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) 1.60 3.81 -17.63 3 8 0 114 387.417 5 ↓
Mid Mid (pH 6-8) 2.05 2.69 -45.45 2 8 -1 117 386.409 5 ↓
Lo Low (pH 4.5-6) 1.60 3.09 -20.73 3 8 0 114 387.417 5 ↓

Activity (Go SEA)

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