UCSF

ZINC09422694

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 5.41 4.09 -13.34 0 3 0 53 422.447 7
Lo Low (pH 4.5-6) 5.41 4.2 -52.03 1 3 1 55 423.455 7

Activity (Go SEA)

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