UCSF

ZINC65526977

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 No

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

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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) 3.18 8.22 -34.82 2 6 1 59 365.505 6 ↓
Hi High (pH 8-9.5) 3.18 5.25 -10.9 1 6 0 58 364.497 6 ↓
Lo Low (pH 4.5-6) 3.18 7.15 -111.16 3 6 2 64 366.513 6 ↓
Lo Low (pH 4.5-6) 3.18 8.01 -110.53 3 6 2 60 366.513 6 ↓

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

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