UCSF

ZINC59371073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.95 10.28 -11.85 0 4 0 38 403.448 8
Mid Mid (pH 6-8) 5.95 12.35 -45.33 1 4 1 39 404.456 8

Activity (Go SEA)

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