UCSF

ZINC25502272

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 4.02 8.68 -15.69 1 3 0 46 308.356 4
Hi High (pH 8-9.5) 4.47 7.66 -47.27 0 3 -1 49 307.348 4

Activity (Go SEA)

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