UCSF

ZINC25444865

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) -0.01 3.47 -28.92 3 9 0 126 378.41 8
Hi High (pH 8-9.5) 0.06 2.55 -55.31 2 9 -1 132 377.402 8

Activity (Go SEA)

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