UCSF

ZINC28884925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 20 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) 3.86 8.77 -44.09 2 3 1 34 360.341 6
Mid Mid (pH 6-8) 3.86 6.43 -6.74 1 3 0 32 359.333 6

Activity (Go SEA)

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