UCSF

ZINC08377511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2006 12 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) -0.01 -1.8 -31.07 5 4 1 78 171.151 2
Ref Reference (pH 7) -0.14 -1.86 -7.21 4 4 0 79 170.143 1
Hi High (pH 8-9.5) 0.28 1.49 -37.89 3 4 -1 78 169.135 1
Hi High (pH 8-9.5) 0.28 1.45 -34.34 3 4 -1 78 169.135 1
Hi High (pH 8-9.5) -0.14 -1.32 -9.97 4 4 0 79 170.143 1
Hi High (pH 8-9.5) -0.01 -0.79 -20.34 4 4 0 81 170.143 2
Lo Low (pH 4.5-6) -0.14 -1.91 -33.23 5 4 1 80 171.151 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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