UCSF

ZINC26859920

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 18 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) 2.45 8.17 -39.29 2 3 1 34 249.378 4
Hi High (pH 8-9.5) 2.45 5.89 -9.45 1 3 0 32 248.37 4

Activity (Go SEA)

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