UCSF

ZINC65525985

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 28 No

Popular Name: 2-[4-[(4S,5S)-5-[(3R)-3,5-dimethyl-3H-pyrazol-4-yl]-4-phenyl-imidazolidin-1-yl]butyl]pyridine 2-[4-[(4S,5S)-5-[(3R)-3,5-dimeth…

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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) 3.72 8.01 -43.8 2 5 1 54 376.528 7 ↓
Hi High (pH 8-9.5) 3.72 5.7 -7.87 1 5 0 53 375.52 7 ↓
Lo Low (pH 4.5-6) 3.72 8.36 -94.96 3 5 2 55 377.536 7 ↓
Lo Low (pH 4.5-6) 3.72 9.73 -213.92 4 5 3 60 378.544 7 ↓
Lo Low (pH 4.5-6) 3.72 9.38 -145.68 3 5 2 59 377.536 7 ↓

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

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