UCSF

ZINC20064355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 No

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) 5.78 11.48 -9.76 0 5 0 41 464.491 5
Mid Mid (pH 6-8) 5.78 12.6 -49.09 1 5 1 42 465.499 5

Activity (Go SEA)

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