UCSF

ZINC40148845

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) -0.28 15.35 -97.31 3 5 2 56 364.493 6
Hi High (pH 8-9.5) -0.28 13.14 -32.34 2 5 1 55 363.485 6

Activity (Go SEA)

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