UCSF

ZINC43476766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 3.63 7.4 -50.09 1 3 -1 60 273.695 3
Hi High (pH 8-9.5) 3.63 8.17 -97.03 0 3 -2 63 272.687 3

Activity (Go SEA)

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