UCSF

ZINC42047480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 24 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) 3.46 5.87 -12.85 1 5 0 53 326.396 3
Hi High (pH 8-9.5) 3.46 6.67 -55.54 0 5 -1 56 325.388 3

Activity (Go SEA)

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