UCSF

ZINC39252773

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 28 No

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) 3.54 10.26 -54.33 0 9 -1 125 389.384 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0249245A2; EP0296316B1; EP0474129A2; EP0474129B1; US4761420; US4806544; US4900833; US4920225; US4975440; US4994461; US5234821; US5250543; US5326772; US5336774; US5475111 IBM Patent Data

Activity (Go SEA)

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