UCSF

ZINC34568114

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) 3.12 6.39 -6.96 0 2 0 30 217.655 2
Lo Low (pH 4.5-6) 3.12 6.86 -41.4 1 2 1 31 218.663 2

Activity (Go SEA)

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