UCSF

ZINC65525811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 21 Yes

Popular Name: [5-[(3aR,4S)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-2-isopropoxy-phenyl]methanol [5-[(3aR,4S)-4,5,6,7-tetrahydro-…

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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) 1.84 4.25 -45.59 4 5 1 75 288.371 4 ↓
Hi High (pH 8-9.5) 1.84 2.9 -8.33 3 5 0 70 287.363 4 ↓
Lo Low (pH 4.5-6) 1.84 4.7 -104.3 5 5 2 76 289.379 4 ↓
Lo Low (pH 4.5-6) 1.84 3.37 -34.15 4 5 1 71 288.371 4 ↓

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

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