UCSF

ZINC27289170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 2.43 10.52 -61.54 2 4 1 57 320.416 6
Hi High (pH 8-9.5) 2.43 8.11 -13.9 1 4 0 56 319.408 6

Activity (Go SEA)

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