UCSF

ZINC39956604

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 19 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) 0.77 5.96 -9.81 1 7 0 107 255.237 4
Lo Low (pH 4.5-6) 0.77 6.36 -40.2 2 7 1 109 256.245 4

Activity (Go SEA)

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