UCSF

ZINC14534441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 36 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) 6.27 13.74 -9.19 2 7 0 85 486.616 8
Lo Low (pH 4.5-6) 6.27 14.01 -34.45 3 7 1 87 487.624 8

Activity (Go SEA)

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

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