UCSF

ZINC29483187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 28 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) -1.09 2.26 -69.56 6 7 1 122 387.456 3
Hi High (pH 8-9.5) -1.09 2.08 -63.82 5 7 0 120 386.448 3

Activity (Go SEA)

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