UCSF

ZINC03830887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 12 Yes

CAS Numbers: 66-84-2 , 7535-00-4 , N/A

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) -3.35 -9.55 -33.24 7 6 1 118 180.18 1
Mid Mid (pH 6-8) -3.35 -10 -9.28 6 6 0 116 179.172 1

Vendor Notes

Note Type Comments Provided By
MP 168 °C (dec.)(lit.) Indofine
SOLUBILITY H2O: 0.1 g/mL, clear, colorless Indofine

Activity (Go SEA)

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