UCSF

ZINC55433715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 24 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) 4.32 8.84 -33.5 2 4 1 50 326.464 5
Hi High (pH 8-9.5) 4.32 6.51 -15.11 1 4 0 48 325.456 5
Lo Low (pH 4.5-6) 4.32 9.84 -85.09 3 4 2 51 327.472 5

Activity (Go SEA)

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

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