UCSF

ZINC26358669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 29 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) 4.47 8.89 -11.84 1 6 0 77 424.551 5
Hi High (pH 8-9.5) 4.54 7.79 -43.01 0 6 -1 83 423.543 5

Activity (Go SEA)

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