UCSF

ZINC20040430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 0.93 6.51 -62.55 2 4 1 59 249.334 8
Hi High (pH 8-9.5) 0.93 5.11 -12.32 1 4 0 54 248.326 8

Activity (Go SEA)

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