UCSF

ZINC29485033

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 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) -0.94 -3.2 -13.74 3 7 0 105 333.138 3
Hi High (pH 8-9.5) -0.48 -5 -51.59 2 7 -1 108 332.13 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122707A1; EP0253412A2; EP0454773A1; EP0550580A1; EP0550580B1; EP0655070A1; EP0655070B1; EP0726904A1; EP0728018A1; EP0985415A1; US4424211; US4526988; US4692434; US4808614; US4816570; US4880785; US4937233; US4990499; US5015743; US5064946; US5118820; US56 IBM Patent Data

Activity (Go SEA)

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

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