UCSF

ZINC51104474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 19 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) -0.56 0.87 -16.04 2 6 0 76 269.345 4
Lo Low (pH 4.5-6) -0.56 3.14 -56.19 3 6 1 77 270.353 4

Activity (Go SEA)

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