UCSF

ZINC65500223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 19 No

Popular Name: (3S)-5-[(3aR,4R)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-3-methyl-2,3-dihydro-1,2-benzoxa (3S)-5-[(3aR,4R)-4,5,6,7-tetrahy…

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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) 1.72 4.49 -50.07 4 5 1 67 257.317 1 ↓
Hi High (pH 8-9.5) 1.72 3.44 -9.91 3 5 0 62 256.309 1 ↓
Lo Low (pH 4.5-6) 1.72 3.88 -36.55 4 5 1 63 257.317 1 ↓
Lo Low (pH 4.5-6) 1.72 4.96 -111.76 5 5 2 68 258.325 1 ↓

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

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