UCSF

ZINC39912087

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.92 11.69 -11.27 2 6 0 78 451.526 6
Hi High (pH 8-9.5) 5.69 11.52 -55.85 0 6 -1 77 450.518 6
Hi High (pH 8-9.5) 5.69 11.41 -53.06 0 6 -1 77 450.518 6
Hi High (pH 8-9.5) 5.92 12.47 -48.03 1 6 -1 81 450.518 6

Activity (Go SEA)

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