UCSF

ZINC04544859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 12 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) -2.57 -5.91 -14.06 4 5 0 98 182.147 5
Ref Reference (pH 7) -2.57 -4.82 -14.25 4 5 0 98 182.147 5

Activity (Go SEA)

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