UCSF

ZINC00057888

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 3.59 2.74 -12.27 0 5 0 57 312.321 4

Vendor Notes

Note Type Comments Provided By
M.P. 107-108 C Indofine
MP 107-108o C Indofine
M.P. 129-130 C Indofine
MP 129.2-130.3o C Indofine
APPEARANCE Off white crystals Indofine
APPEARANCE Off white shining powder Indofine
SOLUBILITY Soluble in Chloroform Indofine
SOLUBILITY Soluble in Methanol or Acetone Indofine

Activity (Go SEA)

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

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