UCSF

ZINC17316785

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 35 No

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) 5.81 12.68 -32.98 2 6 0 84 487.625 6
Mid Mid (pH 6-8) 6.27 11.3 -62.81 1 6 -1 87 486.617 6

Activity (Go SEA)

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