UCSF

ZINC57728280

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.27 9.03 -90.1 2 6 0 72 383.447 8
Mid Mid (pH 6-8) 4.27 8.92 -15 1 6 0 71 382.439 8

Activity (Go SEA)

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