UCSF

ZINC53684210

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 Yes

Popular Name: TBC TBC

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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) -0.93 -5.1 -13.93 5 8 0 127 266.257 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.66e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0097373A2; EP0097373B1; EP0169775A1; EP0192315A1; EP0233493A2; EP0238672A1; EP0251786A2; EP0251786B1; EP0270317A2; EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP0286898B1; EP0302175A2; EP0312222A1; EP0312222B1; EP0350287B1; EP0365560B1; EP038252 IBM Patent Data

Activity (Go SEA)

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

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