UCSF

ZINC25497725

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 4.04 10.37 -53.05 2 7 -1 107 364.381 6
Hi High (pH 8-9.5) 4.50 8.77 -137.51 1 7 -2 110 363.373 6

Activity (Go SEA)

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