UCSF

ZINC25466039

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 Yes

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) 4.02 11.32 -24.08 1 6 0 69 403.482 9
Lo Low (pH 4.5-6) 4.02 11.72 -42.29 2 6 1 71 404.49 9

Activity (Go SEA)

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