UCSF

ZINC26164035

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 33 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) 5.32 13.65 -15.85 1 7 0 86 463.607 9
Hi High (pH 8-9.5) 5.78 12.6 -50.96 0 7 -1 89 462.599 9

Activity (Go SEA)

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