UCSF

ZINC25431803

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 4.22 12.73 -51.87 2 6 1 67 465.643 7
Hi High (pH 8-9.5) 4.22 10.55 -21.01 1 6 0 66 464.635 7

Activity (Go SEA)

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