UCSF

ZINC34561155

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 37 Yes

Popular Name: 5-(4-fluorophenyl)-N-[2-[(5S)-2-methyl-3-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-6-quinolyl]pyrimidine-2- 5-(4-fluorophenyl)-N-[2-[(5S)-2-…

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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 10.81 -21.41 1 8 0 91 496.546 4 ↓
Lo Low (pH 4.5-6) 3.22 11.24 -46.32 2 8 1 93 497.554 4 ↓

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

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