UCSF

ZINC43462937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 37 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) 4.23 11.64 -30.39 1 11 0 137 605.695 9
Hi High (pH 8-9.5) 4.23 12.1 -48.59 0 11 -1 140 604.687 9

Activity (Go SEA)

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