UCSF

ZINC44430297

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 40 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) 5.59 9.3 -21.46 4 8 0 133 569.098 12
Hi High (pH 8-9.5) 6.73 9.61 -53.49 4 8 -1 139 568.09 12
Hi High (pH 8-9.5) 6.73 10.37 -94.56 3 8 -2 142 567.082 12

Activity (Go SEA)

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

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