UCSF

ZINC36879487

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) -0.60 3.01 -36.32 5 5 1 83 292.403 5
Mid Mid (pH 6-8) -0.60 3.38 -129.09 6 5 2 84 293.411 5
Mid Mid (pH 6-8) -0.60 1.44 -46.58 5 5 1 83 292.403 5

Activity (Go SEA)

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