UCSF

ZINC01598379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 5.49 3.23 -3 0 1 0 9 234.383 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4443534; US4455368; US4464462; US4551420 IBM Patent Data

Activity (Go SEA)

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