UCSF

ZINC67490857

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: (3S)-1-(cyclohexylmethyl)-3-[[(4-ethyl-1,2,4-triazol-3-yl)methyl-methyl-amino]methyl]-3-hydroxy-pipe (3S)-1-(cyclohexylmethyl)-3-[[(4…

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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) 1.21 7.7 -12.83 1 7 0 74 363.506 7 ↓
Mid Mid (pH 6-8) 1.21 10.08 -37.66 2 7 1 76 364.514 7 ↓

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

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