UCSF

ZINC49431797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 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) 0.46 5.14 -13.43 0 5 0 54 275.352 3
Lo Low (pH 4.5-6) 0.46 5.6 -42.42 1 5 1 55 276.36 3

Activity (Go SEA)

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