UCSF

ZINC42447297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 2.76 8.22 -101.81 3 2 2 21 214.397 7
Hi High (pH 8-9.5) 2.76 6.87 -32.66 2 2 1 16 213.389 7
Hi High (pH 8-9.5) 2.76 5.98 -36.67 2 2 1 20 213.389 7

Activity (Go SEA)

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