UCSF

ZINC26506268

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 9 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) 0.58 1.69 -6.34 3 3 0 55 123.159 0
Lo Low (pH 4.5-6) 0.58 1.76 -29.34 4 3 1 56 124.167 0

Activity (Go SEA)

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