UCSF

ZINC36749294

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 No

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) 0.35 2.33 -8.88 1 8 0 88 269.305 5
Mid Mid (pH 6-8) 0.35 4.6 -51.77 2 8 1 89 270.313 5

Activity (Go SEA)

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