UCSF

ZINC38810052

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 11 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) -1.00 1.33 -95 7 4 2 82 158.249 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0559046A1; EP0641779A1; EP0684238A2; EP0684238A3; US5536867; US5677448; US5856505 IBM Patent Data

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