UCSF

ZINC25445526

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 No

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) 3.68 8.33 -45.94 1 10 -1 149 474.544 8
Hi High (pH 8-9.5) 3.75 7.42 -103.73 0 10 -2 155 473.536 8
Mid Mid (pH 6-8) 3.68 8.25 -26.21 2 10 0 147 475.552 8

Activity (Go SEA)

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