UCSF

ZINC39911827

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 4.83 8.63 -10.54 2 6 0 78 405.498 6
Hi High (pH 8-9.5) 4.60 8.92 -53.7 0 6 -1 77 404.49 6
Hi High (pH 8-9.5) 4.60 9.22 -54.32 0 6 -1 77 404.49 6
Hi High (pH 8-9.5) 4.83 9.6 -39.19 1 6 -1 81 404.49 6

Activity (Go SEA)

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