UCSF

ZINC04239281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 24 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) 3.73 9.07 -11.32 0 5 0 47 321.38 3
Mid Mid (pH 6-8) 3.73 9.42 -25.52 1 5 1 49 322.388 3

Activity (Go SEA)

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