UCSF

ZINC37044689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.82 -0.51 -58.45 3 8 -1 139 287.273 7
Hi High (pH 8-9.5) -0.82 -0.48 -120.78 2 8 -2 141 286.265 7

Activity (Go SEA)

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