UCSF

ZINC20237099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 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) 5.73 12.52 -34 1 4 1 26 455.981 7
Hi High (pH 8-9.5) 5.73 12.03 -35.99 1 4 1 26 455.981 7
Hi High (pH 8-9.5) 5.73 10.2 -5.92 0 4 0 25 454.973 7

Activity (Go SEA)

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

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