UCSF

ZINC56955801

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 20 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) 2.39 7.08 -46.73 2 5 -1 92 278.328 6
Mid Mid (pH 6-8) 2.39 7.14 -35.64 3 5 0 94 279.336 6

Activity (Go SEA)

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