UCSF

ZINC09151294

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 32 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) 4.05 -1.58 -15.82 1 6 0 69 450.539 9
Lo Low (pH 4.5-6) 4.05 -1.44 -45.36 2 6 1 70 451.547 9

Activity (Go SEA)

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