UCSF

ZINC35520978

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 5.80 13.84 -10.78 1 3 0 38 450.554 9
Lo Low (pH 4.5-6) 5.80 14.33 -33 2 3 1 39 451.562 9

Activity (Go SEA)

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