UCSF

ZINC65526744

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 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) 3.20 8.81 -90.21 3 3 2 24 291.483 5
Hi High (pH 8-9.5) 3.20 6.44 -32.78 2 3 1 23 290.475 5

Activity (Go SEA)

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