UCSF

ZINC35384750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.23 4.37 -40.64 2 5 0 83 249.295 5
Hi High (pH 8-9.5) -0.23 3.02 -55.27 1 5 -1 78 248.287 5

Activity (Go SEA)

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