UCSF

ZINC31776864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 11 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) 2.45 4.69 -6.43 1 2 0 29 150.225 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0389189A2; EP0389189B1; US3957480; US5008263; US6083969 IBM Patent Data
PUBCHEM_PATENT_ID EP0719258A1; US5786367 IBM Patent Data
PUBCHEM_PATENT_ID EP0719258A1; US5786367; WO1996002508A1 IBM Patent Data

Activity (Go SEA)

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