UCSF

ZINC01680520

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 2.06 2.11 -7.25 0 2 0 20 155.241 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0339678A2; EP0374478A2; EP0374478B1; EP0377313A2; EP0377313B1; EP0384598A1; EP0384598B1; EP0399439A2; EP0406432A1; EP0406432B1; EP0489930A1; EP0489930B1; EP0524786A1; EP0590978A1; EP0590978B1; EP0654455A1; EP0659780A2; EP0659780B1; EP0677537A1; EP067753 IBM Patent Data

Activity (Go SEA)

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