UCSF

ZINC55284900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 26 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) 3.19 9.49 -10.07 0 4 0 34 350.462 7
Lo Low (pH 4.5-6) 3.19 11.22 -32.9 1 4 1 36 351.47 7

Activity (Go SEA)

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