UCSF

ZINC40224793

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 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) 4.60 8.8 -13.29 1 4 0 47 338.451 7
Lo Low (pH 4.5-6) 4.60 9.5 -30.92 2 4 1 49 339.459 7

Activity (Go SEA)

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