UCSF

ZINC16603357

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 37 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) 3.93 13.33 -16.39 1 7 0 89 518.013 9
Lo Low (pH 4.5-6) 3.93 13.61 -49.52 2 7 1 90 519.021 9

Activity (Go SEA)

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