UCSF

ZINC19626689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 2.82 6.98 -30.85 1 2 1 8 225.4 2
Hi High (pH 8-9.5) 2.82 4.7 -0.77 0 2 0 6 224.392 2
Hi High (pH 8-9.5) 2.82 6.94 -31.49 1 2 1 8 225.4 2

Activity (Go SEA)

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