UCSF

ZINC05689163

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 16 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) -1.77 -4.26 -81.91 6 6 2 90 238.328 7
Hi High (pH 8-9.5) -1.77 -6.74 -38.16 5 6 1 89 237.32 7

Activity (Go SEA)

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