UCSF

ZINC39643139

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 14 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) 2.15 2.45 -8.71 1 3 0 38 205.135 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0065447A1; US4504595; US4822903; US6080743; WO1997008155A1 IBM Patent Data

Activity (Go SEA)

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