UCSF

ZINC43477187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.34 4.8 -41.52 3 3 1 50 281.788 4
Hi High (pH 8-9.5) 3.34 4.27 -38.06 1 3 -1 48 279.772 4
Hi High (pH 8-9.5) 3.34 3.5 -5.63 2 3 0 45 280.78 4
Hi High (pH 8-9.5) 3.34 5.57 -64.23 2 3 0 53 280.78 4

Activity (Go SEA)

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