UCSF

ZINC32223458

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 6.70 13.04 -5.47 0 2 0 26 335.326 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0485479B1; US5116599; US5234680; US5324504; US5397563 IBM Patent Data

Activity (Go SEA)

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