UCSF

ZINC20264452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 5.19 13.45 -70.08 1 6 0 74 478.633 11
Lo Low (pH 4.5-6) 5.19 12.64 -45.92 2 6 1 71 479.641 11

Activity (Go SEA)

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