UCSF

ZINC26994821

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 27 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) 7.75 16.52 -105.74 2 2 2 9 378.689 9
Hi High (pH 8-9.5) 7.75 16.21 -27.9 1 2 1 8 377.681 9
Hi High (pH 8-9.5) 7.75 16.22 -26.33 1 2 1 8 377.681 9

Activity (Go SEA)

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