UCSF

ZINC39050990

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) 0.57 1.31 -4.85 1 2 0 33 137.182 2
Lo Low (pH 4.5-6) 0.57 1.82 -33.06 2 2 1 34 138.19 2

Activity (Go SEA)

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