UCSF

ZINC57865854

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 26 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) -1.25 3.92 -47.16 2 8 1 77 368.502 6
Mid Mid (pH 6-8) -1.25 1.75 -17.65 1 8 0 76 367.494 6

Activity (Go SEA)

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