UCSF

ZINC32219946

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 6.77 13.92 -10.61 0 4 0 53 328.493 16

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0914206A1; US5847120; US6054580; US6100394 IBM Patent Data

Activity (Go SEA)

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