UCSF

ZINC01725240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 16 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) 1.19 4.73 -9.26 1 4 0 54 212.208 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0268148A1; EP0268148B1; US4808605 IBM Patent Data

Activity (Go SEA)

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