UCSF

ZINC45008156

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 13 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) -1.64 -0.56 -17.81 1 6 0 92 180.167 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0259737A2; EP0259737B1; US4886833; US5231109; US5288732 IBM Patent Data

Activity (Go SEA)

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