UCSF

ZINC25931131

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 25 Yes

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) 2.47 7.06 -53.55 4 5 1 77 360.865 9
Mid Mid (pH 6-8) 2.47 4.85 -16.22 3 5 0 75 359.857 9

Activity (Go SEA)

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