UCSF

ZINC48574685

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 0.21 1.75 -14.96 1 5 0 53 239.319 3
Mid Mid (pH 6-8) 0.21 3.89 -49.41 2 5 1 54 240.327 3

Activity (Go SEA)

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