UCSF

ZINC23070908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 19 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) 1.37 5.41 -121.63 4 4 2 51 270.417 1
Hi High (pH 8-9.5) 1.37 3.81 -44.22 3 4 1 49 269.409 1
Hi High (pH 8-9.5) 1.37 5.17 -31.32 3 4 1 49 269.409 1

Activity (Go SEA)

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