UCSF

ZINC06885494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 31 No

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) 2.54 8.47 -61.72 0 7 -1 92 416.409 5
Lo Low (pH 4.5-6) 2.54 7.72 -16.49 1 7 0 89 417.417 5

Activity (Go SEA)

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