UCSF

ZINC19848869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 0.66 6.68 -44.85 3 7 0 114 380.4 4
Hi High (pH 8-9.5) 0.66 5.83 -52.43 2 7 -1 110 379.392 4

Activity (Go SEA)

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