UCSF

ZINC04171696

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 14 Yes

Popular Name: Pyrrolo[2,3-g]indazole-7,8(1H,6H)-dione Pyrrolo[2,3-g]indazole-7,8(1H,6H…

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CAS Numbers: 73907-94-5 , [73907-94-5]

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) 0.47 0.69 -14.3 2 5 0 79 187.158 0 ↓
Hi High (pH 8-9.5) 0.93 -1.27 -47.57 1 5 -1 82 186.15 0 ↓
Hi High (pH 8-9.5) 0.93 -1.2 -61.69 1 5 -1 82 186.15 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4223143; WO1999015500A1 IBM Patent Data

Activity (Go SEA)

Rings

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

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