UCSF

ZINC39410004

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 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) 0.89 3.58 -32.14 2 2 1 25 158.265 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0351760A2; EP0351760B1; EP0467401B1; EP0587182A3; EP0587182B1; EP0963703A1; US4713245; US4996067; US5008118; US5244669 IBM Patent Data

Activity (Go SEA)

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