UCSF

ZINC03871930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 33 No

CAS Number: 75498-96-3

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) -1.27 -7.08 -96.92 4 14 -1 210 518.579 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0311254A2; EP0311254B1; EP0453952A2; EP0453952A3; EP0500081A2; EP0500081B1; EP0507921A1; EP0603755A2; EP0603755A3; EP0680322A1; EP0680322B1; EP0786999A1; EP0792371A1; EP0831845A1; EP0831869A1; EP0852494A2; EP0900576A1; EP0971691A2; EP1005356A1; EP101908 IBM Patent Data
PUBCHEM_PATENT_ID US4479947; US4654331 IBM Patent Data
PUBCHEM_PATENT_ID US4485235 IBM Patent Data

Activity (Go SEA)

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