UCSF

ZINC01384485

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

Popular Name: 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydro-4(1H)-quinolinone 1-[2-(1H-indol-3-yl)ethyl]-5,6,7…

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CAS Number: 861210-86-8

Other Names:

MFCD03848441

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) 3.28 10.61 -20.03 1 3 0 38 292.382 3 ↓
Lo Low (pH 4.5-6) 3.28 9.58 -9.05 2 3 0 41 293.39 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 270 KeyOrganics

Activity (Go SEA)

Rings

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

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