UCSF

ZINC36333837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 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) 0.01 2.94 -122.8 0 8 -2 127 295.276 4
Lo Low (pH 4.5-6) 0.01 3.41 -57.92 1 8 -1 125 296.284 4

Activity (Go SEA)

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

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