UCSF

ZINC43772621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 29 Yes

CAS Numbers: 40665-92-7 , 54276-22-1

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) 2.94 5.58 -52.61 3 6 -1 110 423.913 11
Lo Low (pH 4.5-6) 2.94 3.6 -12.59 4 6 0 107 424.921 11

Activity (Go SEA)

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