UCSF

ZINC34484672

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 1.70 5.09 -30.74 2 2 1 25 192.282 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0817772A1; EP0934264A1; EP0973737A1; US5952369; US6110947; WO1996030339A1; WO1998012177A1; WO1998030540A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.