UCSF

ZINC19831961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 3.17 8.29 -30.28 1 2 1 8 249.422 2
Hi High (pH 8-9.5) 3.17 6.76 -0.45 0 2 0 6 248.414 2
Hi High (pH 8-9.5) 3.17 9.02 -32.89 1 2 1 8 249.422 2

Activity (Go SEA)

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