UCSF

ZINC29228561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 18 No

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) -2.67 4.77 -32.3 1 4 1 32 254.398 5
Mid Mid (pH 6-8) -2.67 7.3 -103.9 2 4 2 34 255.406 5

Activity (Go SEA)

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