UCSF

ZINC43409285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

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) 2.79 9.37 -48.34 1 5 -1 89 286.355 7
Lo Low (pH 4.5-6) 2.79 7.4 -9.96 2 5 0 86 287.363 7

Activity (Go SEA)

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