UCSF

ZINC44605844

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.54 5.64 -48.48 3 4 1 49 246.334 2
Mid Mid (pH 6-8) 1.54 4.35 -8.25 2 4 0 44 245.326 2

Activity (Go SEA)

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