UCSF

ZINC59865441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 34 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) -4.37 12.98 -120.38 4 6 2 59 462.686 4
Lo Low (pH 4.5-6) -4.37 12.84 -183 5 6 3 60 463.694 4

Activity (Go SEA)

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