UCSF

ZINC33950829

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 5 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) 1.81 3.23 -1.03 0 0 0 0 108.231 1
Hi High (pH 8-9.5) 1.81 3.78 -37.69 0 0 -1 0 107.223 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0238070A2; EP0238070B1; EP0305939A1; EP0305939B1; EP0409680A1; EP0466567A1; EP0466567B1; EP0469022A1; EP0469022B1; EP0636676A1; EP0636676B1; EP0636677A1; EP0636677B1; US4994571; US5017212; WO1997011075A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.