UCSF

ZINC36204197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 3.38 9.87 -54.74 2 6 1 76 364.491 6
Mid Mid (pH 6-8) 3.84 7.21 -41.76 1 6 0 80 363.483 6

Activity (Go SEA)

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