UCSF

ZINC32005787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 10 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) 2.46 3.26 -4 1 1 0 20 156.25 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5981654; US6001930; WO1998052652A1; WO2000059583A1 IBM Patent Data

Activity (Go SEA)

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