UCSF

ZINC65508502

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 29 Yes

Popular Name: 4-[4-[(4S,5R)-3-[(3-methyl-1H-pyrazol-5-yl)methyl]-5-phenyl-imidazolidin-4-yl]phenyl]but-3-yn-1-ol 4-[4-[(4S,5R)-3-[(3-methyl-1H-py…

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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) 3.22 9.05 -139.74 5 5 2 70 388.515 5 ↓
Hi High (pH 8-9.5) 3.22 5.77 -8.35 3 5 0 64 386.499 5 ↓
Mid Mid (pH 6-8) 3.22 7.65 -41.3 4 5 1 65 387.507 5 ↓

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

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