UCSF

ZINC12503907

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 21 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) -2.60 -6.23 -168.61 4 11 -2 183 321.182 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0738475A1; US3941770; US4086417; US5840705 IBM Patent Data

Activity (Go SEA)

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