UCSF

ZINC15212499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 32 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) 6.63 7.88 -10.61 3 6 0 96 438.52 7

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% )

No pre-computed analogs available. Try a structural similarity search.