UCSF

ZINC25408286

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 34 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) 4.29 11.02 -14.21 1 7 0 72 479.65 8
Mid Mid (pH 6-8) 4.29 13.25 -47.94 2 7 1 73 480.658 8

Activity (Go SEA)

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