UCSF

ZINC39964021

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 32 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) 4.42 16.25 -14.34 1 6 0 67 424.504 6
Mid Mid (pH 6-8) 4.42 16.71 -38.34 2 6 1 68 425.512 6

Activity (Go SEA)

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