UCSF

ZINC19944152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 14 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) -0.31 3.29 -6.58 2 3 0 46 210.664 1
Ref Reference (pH 7) -0.31 3.29 -5.35 2 3 0 46 210.664 1
Lo Low (pH 4.5-6) -0.31 3.6 -44.94 3 3 1 48 211.672 1
Lo Low (pH 4.5-6) -0.31 3.59 -44.64 3 3 1 48 211.672 1

Activity (Go SEA)

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