UCSF

ZINC11839910

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 28 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) 2.79 10.55 -116.19 2 7 2 68 387.528 6
Hi High (pH 8-9.5) 2.79 6.09 -16.37 0 7 0 66 385.512 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.