UCSF

ZINC06536033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 14 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) 1.50 0.99 -14.83 3 4 0 72 250.732 3
Mid Mid (pH 6-8) 1.54 0.9 -13.25 3 4 0 74 250.732 2
Mid Mid (pH 6-8) 1.54 1.65 -45.56 2 4 -1 73 249.724 2

Activity (Go SEA)

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