UCSF

ZINC21264908

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 22 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) 1.07 0.37 -11.4 2 6 0 69 324.45 5
Mid Mid (pH 6-8) 1.07 2.77 -47.64 3 6 1 70 325.458 5
Mid Mid (pH 6-8) 0.88 1.7 -35.97 2 6 0 76 324.45 5
Mid Mid (pH 6-8) 1.07 2.72 -39.24 3 6 1 70 325.458 5

Activity (Go SEA)

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