UCSF

ZINC25383954

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 3.37 7.09 -13.67 1 7 0 84 450.564 6
Mid Mid (pH 6-8) 3.37 9.49 -52.1 2 7 1 86 451.572 6

Activity (Go SEA)

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