UCSF

ZINC04879536

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.55 11.44 -10.21 1 4 0 45 371.55 5
Lo Low (pH 4.5-6) 5.55 11.76 -29.95 2 4 1 46 372.558 5

Activity (Go SEA)

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