UCSF

ZINC16442180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 20 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) 2.72 8.23 -42.84 2 4 1 50 292.428 2
Mid Mid (pH 6-8) 2.72 5.82 -9.37 1 4 0 49 291.42 2

Activity (Go SEA)

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