UCSF

ZINC65535160

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 No

Popular Name: (3aR,4R)-4-[(2R,3R,8aR)-6-chloro-2-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-4,5,6,7-tet (3aR,4R)-4-[(2R,3R,8aR)-6-chloro…

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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) 1.05 4.56 -35.99 4 5 1 57 292.794 1 ↓
Hi High (pH 8-9.5) 1.05 5.04 -4.78 3 5 0 56 291.786 1 ↓
Lo Low (pH 4.5-6) 1.05 4.98 -33.68 4 5 1 61 292.794 1 ↓
Lo Low (pH 4.5-6) 1.05 6.05 -94.46 5 5 2 62 293.802 1 ↓

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

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