UCSF

ZINC35475202

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.78 7.06 -15.71 1 6 0 60 403.429 7
Mid Mid (pH 6-8) 2.78 9.32 -52.54 2 6 1 61 404.437 7

Activity (Go SEA)

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