UCSF

ZINC15423995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 16 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) 0.48 5.07 -98.92 4 3 2 45 221.348 4
Lo Low (pH 4.5-6) 0.48 5.35 -166.8 5 3 3 46 222.356 4

Activity (Go SEA)

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