UCSF

ZINC70286591

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 21 Yes

Popular Name: (1S,4R,5S,6R)-6-[(3-fluoro-4-hydroxy-phenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[(3-fluoro-4-hyd…

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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) 2.23 4.8 -60.28 2 5 -1 89 290.27 3 ↓
Hi High (pH 8-9.5) 2.23 5.56 -120.86 1 5 -2 92 289.262 3 ↓
Lo Low (pH 4.5-6) 2.23 3.03 -14.68 3 5 0 87 291.278 3 ↓

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

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