UCSF

ZINC34568023

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 5.09 8.72 -4.71 0 1 0 17 184.323 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010421A1; EP0095295A1; EP0350315A1; EP0350315B1; EP0376041A2; EP0376041B1; EP0376042A1; EP0376042B1; EP0391077A1; EP0409045B1; EP0460448B1; EP0460882B1; EP0465481A1; EP0465481B1; EP0560795A1; EP0560795B1; US4208403; US4331594; US4396543; US4399067; US4 IBM Patent Data

Activity (Go SEA)

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