UCSF

ZINC39500900

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Substance Information

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

Popular Name: (3S)-3-hydroxy-3-[[methyl-[[(3S)-5-methyl-3H-pyrazol-3-yl]methyl]amino]methyl]-1-(m-tolylmethyl)pipe (3S)-3-hydroxy-3-[[methyl-[[(3S)…

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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) 2.07 6.78 -43.38 2 6 1 70 357.478 6 ↓
Hi High (pH 8-9.5) 2.07 4.76 -10.99 1 6 0 69 356.47 6 ↓

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

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