UCSF

ZINC42462546

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.41 6.28 -34.68 2 3 1 28 249.378 3
Hi High (pH 8-9.5) 2.41 4.21 -3.2 1 3 0 27 248.37 3

Activity (Go SEA)

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