UCSF

ZINC42441866

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.61 4.78 -39.58 1 3 1 26 208.281 5
Hi High (pH 8-9.5) 1.61 2.43 -6.42 0 3 0 25 207.273 5

Activity (Go SEA)

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