UCSF

ZINC20056954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.43 5.81 -35.82 2 2 1 16 276.173 5
Hi High (pH 8-9.5) 2.43 4.75 -38.2 2 2 1 20 276.173 5
Hi High (pH 8-9.5) 2.43 3.28 -2.41 1 2 0 15 275.165 5

Activity (Go SEA)

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