UCSF

ZINC34476094

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 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) 2.43 5.44 -6.58 0 4 0 55 201.609 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0282944A2; EP0282944B1; US4885022; US4948887; US5175299 IBM Patent Data

Activity (Go SEA)

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