UCSF

ZINC19841220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 1.19 2.92 -38.32 2 6 1 50 376.521 5
Hi High (pH 8-9.5) 1.19 3.18 -40.77 2 6 1 50 376.521 5
Lo Low (pH 4.5-6) 1.19 5.33 -104.24 3 6 2 51 377.529 5
Lo Low (pH 4.5-6) 1.19 5.52 -93.71 3 6 2 51 377.529 5

Activity (Go SEA)

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