UCSF

ZINC43477167

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 4.63 5.84 -43.09 3 3 1 50 311.858 5
Hi High (pH 8-9.5) 4.63 5.39 -38.34 1 3 -1 48 309.842 5
Hi High (pH 8-9.5) 4.63 4.62 -5.89 2 3 0 45 310.85 5
Hi High (pH 8-9.5) 4.63 6.62 -64.94 2 3 0 53 310.85 5

Activity (Go SEA)

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