UCSF

ZINC04822406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 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) 5.24 11.76 -52.03 0 3 -1 57 281.416 15
Lo Low (pH 4.5-6) 5.24 10.64 -13.23 1 3 0 54 282.424 15

Activity (Go SEA)

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