UCSF

ZINC65525617

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-[4-[(4S,5S)-3-(2H-imidazol-2-ylmethyl)-5-phenyl-imidazolidin-4-yl]phenyl]pyrimidine 5-[4-[(4S,5S)-3-(2H-imidazol-2-y…

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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) 2.65 8.61 -38.87 3 6 1 71 383.479 5 ↓
Hi High (pH 8-9.5) 2.65 8.17 -9.48 2 6 0 70 382.471 5 ↓
Mid Mid (pH 6-8) 2.65 10.03 -119.21 4 6 2 76 384.487 5 ↓
Lo Low (pH 4.5-6) 2.65 9.99 -43.73 3 6 1 71 383.479 5 ↓
Lo Low (pH 4.5-6) 2.65 11.41 -138.57 4 6 2 76 384.487 5 ↓

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

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