UCSF

ZINC01395022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 20 Yes

Popular Name: 4-(2,3-dihydro-1H-inden-5-yl)-1(2H)-phthalazinone 4-(2,3-dihydro-1H-inden-5-yl)-1(…

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CAS Number: 866050-17-1

Other Names:

MFCD03787577

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) 3.27 -1.43 -9.61 1 3 0 45 262.312 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 245 - 246 KeyOrganics

Activity (Go SEA)

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

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