UCSF

ZINC67975239

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 30 No

Popular Name: (5R)-5-[(4-fluorophenyl)methyl]-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]imidazolidine-2,4 (5R)-5-[(4-fluorophenyl)methyl]-…

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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) 2.19 7.48 -17.58 3 8 0 103 408.437 4 ↓
Hi High (pH 8-9.5) 2.38 4.82 -50.79 2 8 -1 109 407.429 4 ↓
Lo Low (pH 4.5-6) 2.19 7.95 -43.69 4 8 1 104 409.445 4 ↓

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

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