UCSF

ZINC24482439

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 20 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) -0.11 6 -12.8 0 6 0 54 273.34 4
Lo Low (pH 4.5-6) -0.11 6.37 -36.63 1 6 1 56 274.348 4

Activity (Go SEA)

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