UCSF

ZINC02800251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 30 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) 4.69 -0.34 -15.26 1 6 0 76 423.448 4
Lo Low (pH 4.5-6) 4.69 -1.02 -50.71 2 6 1 77 424.456 4

Activity (Go SEA)

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

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