UCSF

ZINC20132396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 26 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) 2.92 4.77 -70.28 2 6 1 71 398.867 5
Mid Mid (pH 6-8) 2.92 5.62 -28.77 1 6 0 70 397.859 5

Activity (Go SEA)

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