UCSF

ZINC09421772

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 21 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) -0.73 -11.13 -29.05 2 8 0 122 353.447 5
Hi High (pH 8-9.5) -0.73 -10.58 -57.43 1 8 -1 124 352.439 5
Mid Mid (pH 6-8) 0.20 -2.32 -31.81 2 8 0 126 353.447 4
Mid Mid (pH 6-8) 0.20 -2.24 -28.32 2 8 0 126 353.447 4

Activity (Go SEA)

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

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