UCSF

ZINC54794856

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) -0.09 0.86 -45.23 3 5 1 76 244.34 3
Hi High (pH 8-9.5) -0.09 0.38 -17.24 2 5 0 75 243.332 3
Mid Mid (pH 6-8) -0.09 1.57 -60.75 3 5 1 79 244.34 3
Lo Low (pH 4.5-6) -0.09 2.03 -122.34 4 5 2 81 245.348 3

Activity (Go SEA)

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

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