UCSF

ZINC03872430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 Yes

CAS Number: 5999-95-1

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) 7.87 14.89 -45.28 0 2 -1 40 307.498 16

Vendor Notes

Note Type Comments Provided By
M.P 198 °C0.08 mm Hg(lit.) Indofine

Activity (Go SEA)

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