UCSF

ZINC19450955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 3.12 8.59 -17.95 1 6 0 65 353.422 7
Lo Low (pH 4.5-6) 3.12 9.05 -45.46 2 6 1 67 354.43 7

Activity (Go SEA)

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

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