UCSF

ZINC04952467

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 31 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) 3.12 1.55 -47.95 2 8 1 107 424.477 9
Mid Mid (pH 6-8) 2.54 1.4 -57.69 1 8 1 104 424.477 9

Activity (Go SEA)

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