UCSF

ZINC04424953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 20 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) 3.26 2.92 -39.38 1 3 1 30 274.384 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604352A2; EP0604352A3; EP0604354A3; EP0604355A2; EP0604355A3; EP0604355B1; EP0756596A1; EP0885220A1; US5369113; US5374636; US5444070; US5554626; US5736556; WO1997030997A1 IBM Patent Data

Activity (Go SEA)

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