UCSF

ZINC25499575

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 No

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) 4.04 11.85 -11.94 2 8 0 113 366.377 6
Hi High (pH 8-9.5) 4.50 10.39 -45.76 1 8 -1 116 365.369 6

Activity (Go SEA)

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