UCSF

ZINC25449527

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) 4.64 8.1 -29.39 2 8 0 110 480.571 8
Hi High (pH 8-9.5) 4.71 7.26 -107.94 0 8 -2 119 478.555 8
Hi High (pH 8-9.5) 4.71 7.19 -58.01 1 8 -1 117 479.563 8
Hi High (pH 8-9.5) 4.64 8.17 -61.45 1 8 -1 112 479.563 8

Activity (Go SEA)

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