UCSF

ZINC38796297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 8.46 13.59 -16.09 2 5 0 74 465.94 4
Hi High (pH 8-9.5) 8.46 14.59 -63.43 1 5 -1 77 464.932 4

Activity (Go SEA)

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