UCSF

ZINC00157867

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 2.67 -0.66 -12.6 1 4 0 59 250.294 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0131221A2; EP0150447A2; EP0287971A2; EP0287971B1; EP0308956A2; EP0308956B1; EP0378765A1; EP0378765B1; US4448729; US4507498; US4565882; US4621098; US4782176; US4808729; US4870098; US4923891; US4942245 IBM Patent Data

Activity (Go SEA)

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