UCSF

ZINC26895217

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 24 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) 2.44 6.55 -12.92 1 7 0 105 342.332 3
Hi High (pH 8-9.5) 2.44 7.33 -49.36 0 7 -1 108 341.324 3

Activity (Go SEA)

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