UCSF

ZINC05462416

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.86 5.39 -12.45 3 6 0 89 411.889 5
Hi High (pH 8-9.5) 3.84 6.01 -53.68 1 6 -1 88 410.881 5
Hi High (pH 8-9.5) 3.84 5.78 -49.33 1 6 -1 88 410.881 5
Hi High (pH 8-9.5) 3.86 6.32 -42.44 2 6 -1 92 410.881 5
Mid Mid (pH 6-8) 3.86 6.15 -50.17 2 6 -1 92 410.881 5

Activity (Go SEA)

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