UCSF

ZINC04790761

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 29 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) 5.02 12.73 -13.34 1 4 0 46 399.347 4
Mid Mid (pH 6-8) 5.02 13.17 -34.86 2 4 1 48 400.355 4

Activity (Go SEA)

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