UCSF

ZINC02382572

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 27 Yes

CAS Number: 16881-33-7

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) 5.70 8.22 -12.13 2 6 0 85 371.433 9

Vendor Notes

Note Type Comments Provided By
MP 77-81o C Indofine
PUBCHEM_PATENT_ID WO1992014706A1 IBM Patent Data

Activity (Go SEA)

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