UCSF

ZINC65167189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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
Mid Mid (pH 6-8) 2.62 6.37 -34.37 2 3 1 28 269.453 8
Mid Mid (pH 6-8) 2.62 6.44 -34.13 2 3 1 28 269.453 8

Activity (Go SEA)

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