UCSF

ZINC65493052

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 No

Popular Name: 2-[(3S,5R)-3-cyclopropyl-5-[(4S)-2-phenyl-4H-imidazol-4-yl]-1,2,4-triazolidin-1-yl]pyridine 2-[(3S,5R)-3-cyclopropyl-5-[(4S)…

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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) 3.30 7.22 -25.96 4 6 1 70 333.419 4 ↓
Mid Mid (pH 6-8) 3.30 7.44 -81.53 5 6 2 71 334.427 4 ↓
Mid Mid (pH 6-8) 3.30 7.62 -9.97 3 6 0 69 332.411 4 ↓

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

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