UCSF

ZINC31157128

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 18 No

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) 2.51 5.69 -47.87 1 3 -1 60 249.33 2
Lo Low (pH 4.5-6) 2.51 3.86 -6.41 2 3 0 58 250.338 2

Activity (Go SEA)

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