UCSF

ZINC39500881

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 26 No

Popular Name: (6S)-5-(azepan-1-yl)-N-[[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]methyl]-N-methyl-1,6-dihydro-[1,2,5]oxadi (6S)-5-(azepan-1-yl)-N-[[(3S)-3,…

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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) 2.99 4.62 -26.71 1 9 0 98 358.45 4 ↓
Lo Low (pH 4.5-6) 2.99 4.58 -35.38 2 9 1 99 359.458 4 ↓

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

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