UCSF

ZINC38458053

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.74 7.85 -5.87 1 2 0 25 223.275 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000009485A1; WO2000009492A1 IBM Patent Data

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