UCSF

ZINC04988124

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 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) 3.47 7.59 -32.76 2 4 1 51 298.79 5
Hi High (pH 8-9.5) 3.47 5.76 -5.67 1 4 0 50 297.782 5
Hi High (pH 8-9.5) 3.47 8.35 -34.61 1 4 0 54 297.782 5

Activity (Go SEA)

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