UCSF

ZINC11536132

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2008 31 No

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) 5.27 8.16 -10.54 2 8 0 124 422.485 2
Lo Low (pH 4.5-6) 5.27 8.21 -45.99 3 8 1 125 423.493 2

Activity (Go SEA)

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

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