UCSF

ZINC16971298

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 23 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) 2.52 3.94 -18.01 1 5 0 67 353.806 2
Mid Mid (pH 6-8) 2.52 4.92 -30.43 2 5 1 69 354.814 2

Activity (Go SEA)

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