UCSF

ZINC33789173

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 No

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) -0.92 11.48 -25.31 2 8 1 88 449.579 3
Mid Mid (pH 6-8) -0.92 13.74 -78.81 3 8 2 89 450.587 3

Activity (Go SEA)

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