UCSF

ZINC37918921

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 20 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) 0.44 6.95 -87.38 1 6 0 82 276.292 4
Hi High (pH 8-9.5) 0.44 4.67 -55.11 0 6 -1 81 275.284 4

Activity (Go SEA)

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

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