UCSF

ZINC58541745

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 26 Yes

Popular Name: 7-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyri 7-[(1S,5R)-6-(aminomethyl)-3-aza…

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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) 0.31 9.8 -98.1 3 7 0 106 358.373 4 ↓
Mid Mid (pH 6-8) 0.31 7.79 -57.16 4 7 1 103 359.381 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5164402; US5391763 IBM Patent Data

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Rings

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

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