UCSF

ZINC39050130

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 10 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) 0.07 2.15 -49.49 3 2 1 41 137.206 2
Lo Low (pH 4.5-6) 0.07 2.58 -92.61 4 2 2 42 138.214 2

Activity (Go SEA)

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