UCSF

ZINC26637848

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 24 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) 2.85 4.25 -11.77 2 6 0 85 330.336 4
Hi High (pH 8-9.5) 2.85 4.93 -55.14 1 6 -1 88 329.328 4

Activity (Go SEA)

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