UCSF

ZINC34535622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 Yes

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) 3.85 9.03 -4.31 0 1 0 9 212.292 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0486745A1; EP0531382A1; EP0617022A1; EP0617022B1; EP0674232A2; EP0674232A3; EP0674232B1; EP0733033A1; EP0733033B1; EP1004621A1; EP1016670A1; US5446164; US5451466; US5498717; US5663022; US5840684; US5843889; US5922117; US5977062; US6066200; US6071333; US IBM Patent Data

Activity (Go SEA)

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