UCSF

ZINC46502093

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 1.39 5.61 -42.14 2 4 1 37 276.404 6
Mid Mid (pH 6-8) 1.39 5.61 -41.59 2 4 1 37 276.404 6
Mid Mid (pH 6-8) 1.39 3.35 -8.45 1 4 0 36 275.396 6

Activity (Go SEA)

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