UCSF

ZINC00021740

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 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) 3.69 1.14 -29.01 2 2 1 24 234.363 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0753506A1; EP0753506B1; US5733936 IBM Patent Data

Activity (Go SEA)

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