UCSF

ZINC04057605

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 32 Yes

Popular Name: N-(2-diethylaminoethyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide N-(2-diethylaminoethyl)-2-methyl…

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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) 2.38 12.36 -48.54 2 6 1 59 433.576 7 ↓
Hi High (pH 8-9.5) 2.56 10.13 -38.4 1 6 0 65 432.568 7 ↓

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