UCSF

ZINC04265769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.33 8.09 -11.52 1 6 0 66 351.406 7
Lo Low (pH 4.5-6) 3.33 8.3 -28.98 2 6 1 67 352.414 7

Activity (Go SEA)

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