UCSF

ZINC43240442

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.77 6.63 -41.75 3 2 1 31 293.431 5
Hi High (pH 8-9.5) 2.77 8.36 -32.05 3 2 1 30 293.431 5
Hi High (pH 8-9.5) 2.77 6.22 -3.68 2 2 0 29 292.423 5

Activity (Go SEA)

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