UCSF

ZINC48756930

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 18 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) 0.09 3.66 -8.56 1 5 0 62 243.266 2
Lo Low (pH 4.5-6) 0.09 4.14 -38.96 2 5 1 64 244.274 2

Activity (Go SEA)

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