UCSF

ZINC55628199

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2010 26 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
Ref Reference (pH 7) 2.33 5.07 -45.17 1 7 -1 108 371.394 5
Mid Mid (pH 6-8) 2.33 5.05 -19.68 2 7 0 105 372.402 5

Activity (Go SEA)

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