UCSF

ZINC43640870

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 36 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) 6.67 16.48 -187.89 2 9 -3 162 511.68 25
Lo Low (pH 4.5-6) 6.67 14.5 -112.98 3 9 -2 159 512.688 25

Activity (Go SEA)

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