UCSF

ZINC00057148

Substance Information

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

CAS Number: 6161-50-8

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) 3.80 1.78 -6.05 0 2 0 18 214.264 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6022884; WO1999024404A1 IBM Patent Data

Activity (Go SEA)

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