UCSF

ZINC55228177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 22 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) 2.03 7.71 -8.58 1 4 0 45 297.402 6
Lo Low (pH 4.5-6) 2.03 8.17 -39.25 2 4 1 46 298.41 6

Activity (Go SEA)

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