UCSF

ZINC16599256

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 25 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) 4.02 11.44 -44.7 2 3 1 34 333.455 6
Mid Mid (pH 6-8) 4.02 9.76 -11.27 1 3 0 32 332.447 6

Activity (Go SEA)

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