UCSF

ZINC40711908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 4.32 6.44 -4.94 1 2 0 25 222.307 2
Lo Low (pH 4.5-6) 4.32 6.92 -26.29 2 2 1 26 223.315 2

Activity (Go SEA)

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