UCSF

ZINC04100898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 18 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) 3.13 7.26 -44.71 4 2 1 43 243.374 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0749313A1; US5688807; US5705519; US5736544; WO1995024200A1 IBM Patent Data

Activity (Go SEA)

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