UCSF

ZINC04810093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 25 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) 3.41 -0.97 -14.79 1 5 0 56 337.423 8
Mid Mid (pH 6-8) 3.41 -0.8 -36.47 2 5 1 57 338.431 8

Activity (Go SEA)

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