UCSF

ZINC40085465

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 39 No

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) 5.87 14.11 -60.96 0 7 -1 88 528.625 12
Lo Low (pH 4.5-6) 5.87 13.36 -16.49 1 7 0 85 529.633 12

Activity (Go SEA)

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