UCSF

ZINC39907654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.35 14.86 -17.37 0 5 0 46 452.554 9
Lo Low (pH 4.5-6) 6.35 15.37 -41.82 1 5 1 47 453.562 9

Activity (Go SEA)

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