UCSF

ZINC44199421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 Yes

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) 3.14 9.01 -110.16 0 4 -2 80 240.214 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0448413A1; EP0448413B1; US4075331; US4161523; US4234690; US4950746; US5023329; US5089608; US5470969; WO1984001160A1 IBM Patent Data

Activity (Go SEA)

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