UCSF

ZINC40769295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 19 Yes

Popular Name: (1R,5S)-7-isopropyl-N-(4H-1,2,4-triazol-3-ylmethyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(4H-1,2,4-…

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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) 1.26 7.45 -64.49 4 5 0 63 265.405 4 ↓
Mid Mid (pH 6-8) 1.26 6.38 -6.67 3 5 0 58 264.397 4 ↓
Lo Low (pH 4.5-6) 1.26 7.3 -30.2 3 5 0 61 264.397 4 ↓

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

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