UCSF

ZINC64978849

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 28 Yes

Popular Name: 2-[[(2S)-1,4-dioxan-2-yl]methyl-methyl-amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic 2-[[(2S)-1,4-dioxan-2-yl]methyl-…

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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) 1.73 8.54 -61.29 1 8 -1 104 384.412 6 ↓
Mid Mid (pH 6-8) 1.73 8.79 -52.12 2 8 0 105 385.42 6 ↓

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

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