UCSF

ZINC58486289

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 22 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) 3.71 10.49 -38.36 2 2 1 16 295.45 5
Lo Low (pH 4.5-6) 3.71 9.45 -39.54 2 2 1 20 295.45 5

Activity (Go SEA)

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