UCSF

ZINC39247280

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 3.69 8.6 -3.07 0 0 0 0 184.329 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5514727; US5672675; WO1996006142A1 IBM Patent Data

Activity (Go SEA)

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