UCSF

ZINC42778885

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.44 11.62 -50.92 0 6 -1 74 311.431 7
Lo Low (pH 4.5-6) 2.44 11.78 -35.27 1 6 0 75 312.439 7

Activity (Go SEA)

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