UCSF

ZINC19944181

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) -0.18 3.39 -5.21 2 3 0 46 255.115 1
Ref Reference (pH 7) -0.18 3.39 -6.44 2 3 0 46 255.115 1
Lo Low (pH 4.5-6) -0.18 3.71 -44.92 3 3 1 48 256.123 1
Lo Low (pH 4.5-6) -0.18 3.7 -44.65 3 3 1 48 256.123 1

Activity (Go SEA)

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