UCSF

ZINC55098913

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 2.12 7.46 -18.71 0 5 0 46 341.386 5
Mid Mid (pH 6-8) 2.12 8.05 -48.54 1 5 1 47 342.394 5

Activity (Go SEA)

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