UCSF

ZINC67740653

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: 6-[(1R)-1-[(4-chlorophenyl)methyl]-2-hydroxy-ethyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile 6-[(1R)-1-[(4-chlorophenyl)methy…

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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) 1.30 5.7 -22.26 2 6 0 99 355.781 4 ↓
Mid Mid (pH 6-8) 2.20 3.73 -50.49 1 6 -1 102 354.773 4 ↓

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

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