UCSF

ZINC00039757

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

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) 2.47 5.12 -10.65 0 2 0 30 180.59 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 101-102? Alfa-Aesar
Melting_Point 101-102° Alfa-Aesar
M.P. 136-138 C Indofine
MP 136-138o C Indofine
APPEARANCE Off white colored shining plates Indofine
SOLUBILITY Soluble in Chloroform Indofine

Activity (Go SEA)

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

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