UCSF

ZINC39539385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 29 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) 2.93 9.76 -13.02 1 6 0 66 412.921 4
Mid Mid (pH 6-8) 2.93 10.21 -39.38 2 6 1 67 413.929 4

Activity (Go SEA)

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