UCSF

ZINC01143688

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 2.76 -6.93 -15.45 2 6 0 92 354.453 5
Hi High (pH 8-9.5) 2.76 -6.47 -46.03 1 6 -1 94 353.445 5
Hi High (pH 8-9.5) 2.76 -5.89 -90.5 0 6 -2 96 352.437 5
Hi High (pH 8-9.5) 2.76 -6.35 -39.49 1 6 -1 94 353.445 5

Activity (Go SEA)

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