UCSF

ZINC57826271

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 28 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) 2.39 12.14 -46.53 1 6 1 54 400.572 4
Hi High (pH 8-9.5) 2.39 9.75 -11.63 0 6 0 53 399.564 4

Activity (Go SEA)

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