UCSF

ZINC13827177

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 35 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) 4.90 9.14 -54.74 1 7 -1 104 479.597 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5100889; US5153327; US5605917 IBM Patent Data

Activity (Go SEA)

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