UCSF

ZINC16561165

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.24 6.87 -47.82 2 6 1 61 345.419 9
Hi High (pH 8-9.5) 3.24 4.58 -15.56 1 6 0 60 344.411 9

Activity (Go SEA)

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