UCSF

ZINC39372394

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 26 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 8.66 -62.35 0 8 -1 113 414.359 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4020057; US4131734; US4158733; US4218564; US4236001 IBM Patent Data

Activity (Go SEA)

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