UCSF

ZINC29148833

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 30 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) 2.88 4.59 -20.35 2 8 0 107 467.956 7
Hi High (pH 8-9.5) 2.94 3.68 -50.03 1 8 -1 113 466.948 7

Activity (Go SEA)

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