UCSF

ZINC04015531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 19 Yes

CAS Numbers: 58-63-9 , 7013-16-3

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) -1.82 -4.37 -24.9 4 9 0 133 268.229 2
Hi High (pH 8-9.5) -1.36 -6.44 -61.13 3 9 -1 137 267.221 2

Vendor Notes

Note Type Comments Provided By
MP 222-226 °C (dec.)(lit.) Indofine
SOLUBILITY H2O: 0.5 M, clear, colorless Indofine

Activity (Go SEA)

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