UCSF

ZINC16677061

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 33 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) 4.08 6.51 -22.43 1 8 0 110 494.635 7
Hi High (pH 8-9.5) 4.08 6.59 -63.42 0 8 -1 112 493.627 7

Activity (Go SEA)

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