UCSF

ZINC34560944

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 Yes

Popular Name: 2-(4-chlorophenyl)sulfonyl-N,N-dipropyl-3,5,6,7-tetrahydro-1H-cyclopenta[f]isoindol-6-amine 2-(4-chlorophenyl)sulfonyl-N,N-d…

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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) 4.81 11.85 -44.67 1 4 1 42 434.025 7 ↓
Hi High (pH 8-9.5) 4.81 9.8 -7.36 0 4 0 41 433.017 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6084130 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.