UCSF

ZINC19837981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 2.60 5.39 -43.58 3 5 1 63 295.403 7
Hi High (pH 8-9.5) 2.60 6.33 -71.73 2 5 0 66 294.395 7
Hi High (pH 8-9.5) 2.60 4.27 -61.69 1 5 -1 65 293.387 7
Hi High (pH 8-9.5) 2.60 3.33 -14.98 2 5 0 62 294.395 7

Activity (Go SEA)

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