UCSF

ZINC20781314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 26 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) 1.77 7.54 -38.73 2 5 1 48 360.522 5
Mid Mid (pH 6-8) 1.77 7.05 -38.03 2 5 1 48 360.522 5

Activity (Go SEA)

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