UCSF

ZINC21798741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 5.39 9.18 -48.67 3 1 1 28 274.815 4
Mid Mid (pH 6-8) 5.39 8.96 -3.06 2 1 0 26 273.807 4

Activity (Go SEA)

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