UCSF

ZINC25525477

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 2.37 1.38 -20.9 3 6 0 106 354.453 6
Hi High (pH 8-9.5) 2.37 2.13 -95.05 1 6 -2 106 352.437 6
Hi High (pH 8-9.5) 2.37 2.06 -46.21 2 6 -1 104 353.445 6
Hi High (pH 8-9.5) 2.37 1.45 -55.55 2 6 -1 108 353.445 6

Activity (Go SEA)

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