UCSF

ZINC40769251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 Yes

Popular Name: (1R,5S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]-7-isopropyl-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-N-[(1S)-2-imidazol-1-yl-…

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Vendors

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) 2.31 10.5 -23.94 3 4 0 39 292.471 5 ↓
Hi High (pH 8-9.5) 2.31 9.37 -4.3 2 4 0 34 291.463 5 ↓
Hi High (pH 8-9.5) 2.31 10.28 -42.29 2 4 1 38 291.463 5 ↓
Mid Mid (pH 6-8) 2.31 9.88 -53.79 3 4 0 36 292.471 5 ↓
Mid Mid (pH 6-8) 2.31 10.8 -104.35 3 4 2 39 292.471 5 ↓
Lo Low (pH 4.5-6) 2.31 11.02 -33.59 4 4 0 40 293.479 5 ↓

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

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