UCSF

ZINC41584152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 6.08 11.73 -41.38 2 4 1 55 400.564 9
Mid Mid (pH 6-8) 6.08 12.46 -27.01 1 4 0 58 399.556 9

Activity (Go SEA)

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