UCSF

ZINC26369840

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 28 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) 4.69 11.68 -51.67 2 4 1 46 414.982 4
Hi High (pH 8-9.5) 4.69 9.53 -15.32 1 4 0 45 413.974 4

Activity (Go SEA)

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