UCSF

ZINC26575655

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.96 3.53 -11.99 1 4 0 56 258.273 4
Hi High (pH 8-9.5) 2.96 4.32 -45.54 0 4 -1 59 257.265 4

Activity (Go SEA)

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