UCSF

ZINC41685211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.09 -0.92 -50.19 2 8 0 117 282.3 9
Hi High (pH 8-9.5) -0.91 -0.37 -17.06 2 8 0 106 282.3 9
Hi High (pH 8-9.5) -1.09 -2.32 -49.87 1 8 -1 113 281.292 9
Mid Mid (pH 6-8) -0.91 0.98 -58.3 3 8 1 111 283.308 9

Activity (Go SEA)

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

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