UCSF

ZINC00000318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

CAS Number: 720-76-3

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) 1.96 -4.07 -5.89 2 3 0 47 230.189 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0014263A2; EP0906315A1; EP0912579A1; EP0929554A1; EP0977572A1; EP0989987A1; EP0991622A1; EP1028957A1; US4684728; US5795909; US5985874; US6046195; US6071927; US6071928; US6136824; WO1997044063A2; WO1997049710A1; WO1998001450A1; WO1998013369A1; WO19980475 IBM Patent Data

Activity (Go SEA)

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