UCSF

ZINC01383887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 15 Yes

Popular Name: 5,6-dihydrobenzo[h]cinnolin-3(2H)-one 5,6-dihydrobenzo[h]cinnolin-3(2H…

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CAS Number: 25823-49-8

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) 1.84 4.61 -8.68 1 3 0 46 198.225 0 ↓
Hi High (pH 8-9.5) 2.30 2.76 -51.98 0 3 -1 49 197.217 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 263 - 266 KeyOrganics

Activity (Go SEA)

Rings

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

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