UCSF

ZINC22714941

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 5.93 11.57 -15.39 1 7 0 90 478.57 7
Hi High (pH 8-9.5) 5.93 12.36 -49.08 0 7 -1 93 477.562 7

Activity (Go SEA)

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

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