UCSF

ZINC32271029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 21 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) 3.76 9.18 -8.46 0 2 0 26 282.383 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0712412B1; EP0815120A1; US5587496; US5656622; US6018062; US6136800 IBM Patent Data

Activity (Go SEA)

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