UCSF

ZINC20520313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 4.83 11.39 -105.1 3 2 2 21 270.505 10
Hi High (pH 8-9.5) 4.83 9.09 -37.38 2 2 1 20 269.497 10
Hi High (pH 8-9.5) 4.83 10.24 -32.79 2 2 1 16 269.497 10

Activity (Go SEA)

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