UCSF

ZINC58392944

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 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) 2.44 8.7 -18.94 1 5 0 53 341.455 5
Mid Mid (pH 6-8) 2.44 9.34 -53.44 2 5 1 54 342.463 5

Activity (Go SEA)

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