UCSF

ZINC59587599

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 25 Yes

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) 4.48 10.77 -37.42 2 3 1 26 404.372 7
Lo Low (pH 4.5-6) 4.48 9.75 -38.1 2 3 1 29 404.372 7

Activity (Go SEA)

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