UCSF

ZINC19398105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 7 No

Other Names:

MFCD09810335

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) -0.71 1.18 -44.05 4 2 1 43 119.213 1
Mid Mid (pH 6-8) -0.71 0.5 -42.29 4 2 1 40 119.213 1
Mid Mid (pH 6-8) -0.71 0.69 -3.72 3 2 0 38 118.205 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4101658; US4181806; US4243524; US4374040; US5294612; US5541187 IBM Patent Data

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

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