UCSF

ZINC67954970

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: (3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(3-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[3,4-g][1,4]diazepi (3R)-3-hydroxy-1-(2-methoxyethyl…

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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) -1.11 5.91 -45.25 2 8 1 85 338.432 5 ↓
Mid Mid (pH 6-8) -1.11 5.53 -16.88 1 8 0 84 337.424 5 ↓

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

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