UCSF

ZINC15212488

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 31 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) 6.56 5.67 -11.42 4 6 0 107 424.493 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0703780A1; US5741821; US5859067; WO1994028886A1 IBM Patent Data

Activity (Go SEA)

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