UCSF

ZINC00551476

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 4.54 6.54 -15.36 2 4 0 62 290.388 3
Hi High (pH 8-9.5) 5.47 6.92 -60.3 1 4 -1 68 289.38 2

Activity (Go SEA)

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