UCSF

ZINC33781755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 4.31 9.94 -50.41 2 6 1 59 454.635 10
Mid Mid (pH 6-8) 4.31 12.27 -103.14 3 6 2 60 455.643 10

Activity (Go SEA)

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