UCSF

ZINC42458569

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 2.69 4.83 -37.6 4 5 1 76 293.778 4
Hi High (pH 8-9.5) 2.69 4.41 -7.39 3 5 0 75 292.77 4

Activity (Go SEA)

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