UCSF

ZINC55104111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 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) 5.20 14.01 -13.12 1 4 0 47 422.326 1
Mid Mid (pH 6-8) 5.20 14.48 -35.94 2 4 1 48 423.334 1

Activity (Go SEA)

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