UCSF

ZINC06729765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 26 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) 2.90 -3.38 -15.89 1 6 0 75 374.462 5
Hi High (pH 8-9.5) 2.90 -2.8 -51.64 0 6 -1 77 373.454 5

Activity (Go SEA)

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

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