UCSF

ZINC19864310

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.06 0.77 -47.85 4 6 1 86 270.353 4
Hi High (pH 8-9.5) 0.06 -0.73 -11.84 3 6 0 82 269.345 4

Activity (Go SEA)

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