UCSF

ZINC00582758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 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) 0.36 -0.51 -14.46 2 5 0 75 228.273 3
Hi High (pH 8-9.5) 0.36 -0.43 -38.13 1 5 -1 77 227.265 3

Activity (Go SEA)

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