UCSF

ZINC25558237

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 22 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) 1.87 5.87 -13.8 2 5 0 71 331.422 3
Hi High (pH 8-9.5) 1.94 4.96 -41.86 1 5 -1 77 330.414 3

Activity (Go SEA)

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