UCSF

ZINC26047516

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 28 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) 3.51 9.09 -27.27 2 7 0 104 413.89 8
Hi High (pH 8-9.5) 3.51 8.94 -50.05 1 7 -1 102 412.882 8

Activity (Go SEA)

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