UCSF

ZINC25449531

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 4.66 8.31 -31.38 2 8 0 110 480.571 7
Hi High (pH 8-9.5) 4.73 7.4 -59.04 1 8 -1 117 479.563 7
Hi High (pH 8-9.5) 4.66 8.38 -68.92 1 8 -1 112 479.563 7
Hi High (pH 8-9.5) 4.73 7.47 -114.73 0 8 -2 119 478.555 7

Activity (Go SEA)

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