UCSF

ZINC42446141

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.59 0.62 -48.64 4 5 1 77 228.316 4
Hi High (pH 8-9.5) -0.41 0.69 -54.67 3 5 0 83 227.308 4
Hi High (pH 8-9.5) -0.59 0.24 -4.98 3 5 0 75 227.308 4

Activity (Go SEA)

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