UCSF

ZINC43212224

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 25 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) -1.01 6.42 -41.98 2 7 0 118 341.367 3
Mid Mid (pH 6-8) -1.01 5.5 -48.85 1 7 -1 113 340.359 3

Activity (Go SEA)

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