UCSF

ZINC60118216

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 23 Yes

Popular Name: (1R,1'R,5S,5'S)-2-amino-4,4-dimethoxy-8'-methyl-spiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-8-azabicyclo (1R,1'R,5S,5'S)-2-amino-4,4-dime…

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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) -0.04 0.94 -47.91 3 7 1 109 316.385 2 ↓
Hi High (pH 8-9.5) -0.04 1 -47.65 2 7 0 106 315.377 2 ↓
Mid Mid (pH 6-8) -0.04 2.83 -103.42 4 7 2 110 317.393 2 ↓

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

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