UCSF

ZINC20550456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 30 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) 4.25 12.39 -15.4 1 4 0 28 429.605 10
Mid Mid (pH 6-8) 4.25 14.79 -45.82 2 4 1 29 430.613 10

Activity (Go SEA)

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