UCSF

ZINC01554469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 28 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) 2.35 -4.19 -50.68 4 7 1 104 413.491 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4971990 IBM Patent Data

Activity (Go SEA)

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