UCSF

ZINC71404691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2011 31 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) 0.33 -5.03 -15.06 6 10 0 166 434.397 4
Hi High (pH 8-9.5) 0.33 -4.04 -61.38 5 10 -1 169 433.389 4

Vendor Notes

Note Type Comments Provided By
APPEARANCE .; Cream colored powder Indofine
M.P. 222-224 C Indofine
MP 222-224o C Indofine
SOLUBILITY Soluble in 5 mg/20 ml ethanol Indofine
SOLUBILITY Soluble in 5mg/20ml Ethanol Indofine

Activity (Go SEA)

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

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