UCSF

ZINC20898983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 0.14 4.03 -50.15 1 9 -1 109 403.44 3
Lo Low (pH 4.5-6) -0.32 5.08 -18.33 2 9 0 106 404.448 3

Activity (Go SEA)

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