UCSF

ZINC37596933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 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) -0.68 5.49 -28.47 1 6 0 68 283.372 5
Hi High (pH 8-9.5) -0.68 3.7 -59.75 0 6 -1 67 282.364 5
Mid Mid (pH 6-8) -0.68 7.84 -65.32 2 6 1 69 284.38 5

Activity (Go SEA)

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

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