UCSF

ZINC22064399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 33 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) 4.25 8.01 -21.05 2 8 0 107 489.619 11
Mid Mid (pH 6-8) 4.25 8.09 -45.74 1 8 -1 109 488.611 11

Activity (Go SEA)

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