UCSF

ZINC65528000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: (3R)-3-[[(4S,5R)-5-(3-methoxy-4-methyl-phenyl)-4-phenyl-imidazolidin-1-yl]methyl]-3H-1,2,4-triazole (3R)-3-[[(4S,5R)-5-(3-methoxy-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) 2.53 7.78 -47.82 3 6 1 71 350.446 5 ↓
Hi High (pH 8-9.5) 2.53 6.37 -9.45 2 6 0 66 349.438 5 ↓
Mid Mid (pH 6-8) 2.53 9.57 -135.38 4 6 2 72 351.454 5 ↓
Lo Low (pH 4.5-6) 2.53 8.17 -39.24 3 6 1 67 350.446 5 ↓

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

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