UCSF

ZINC67513759

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: 5-methoxy-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-4-oxo-1H-pyridine-2-carboxamide 5-methoxy-N-[[2-(4-methyl-1,4-di…

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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) -0.14 7.22 -45.26 3 8 1 92 372.449 5 ↓
Hi High (pH 8-9.5) -0.14 5.21 -17.48 2 8 0 91 371.441 5 ↓
Mid Mid (pH 6-8) -0.14 7.75 -107.13 4 8 2 93 373.457 5 ↓

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

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