UCSF

ZINC20596382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 18 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) 4.43 7.81 -48.55 3 1 1 28 274.796 2
Mid Mid (pH 6-8) 4.43 7.47 -5.55 2 1 0 26 273.788 2

Activity (Go SEA)

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