UCSF

ZINC40884494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 14 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) 1.51 5.22 -6.08 0 3 0 25 212.68 2
Mid Mid (pH 6-8) 1.51 5.54 -31.5 1 3 1 27 213.688 2

Activity (Go SEA)

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