UCSF

ZINC26168205

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 26 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) 4.24 13.67 -39.84 1 3 1 25 351.514 6
Hi High (pH 8-9.5) 4.24 11.36 -5.45 0 3 0 24 350.506 6

Activity (Go SEA)

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