UCSF

ZINC04113799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 28 No

CAS Number: 57-88-5

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) 7.62 12.75 -1.52 1 1 0 20 386.664 5

Vendor Notes

Note Type Comments Provided By
MP 145-147o C Indofine
MP 148-150 °C Indofine
SOLUBILITY H2O: 0.002 mg/mL Indofine

Activity (Go SEA)

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