UCSF

ZINC22742957

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 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) 5.54 12.87 -15.93 0 7 0 83 485.565 6
Lo Low (pH 4.5-6) 5.54 13.32 -45.98 1 7 1 84 486.573 6

Activity (Go SEA)

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