UCSF

ZINC39500424

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 31 Yes

Popular Name: N-[4-[(2R)-2,3-dihydro-1,3-benzoxazol-2-yl]phenyl]-1-[(3-methyl-1H-pyrazol-5-yl)methyl]piperidine-4- N-[4-[(2R)-2,3-dihydro-1,3-benzo…

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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) 3.46 7.91 -49.86 4 7 1 83 418.521 5 ↓
Hi High (pH 8-9.5) 3.46 5.66 -16.97 3 7 0 82 417.513 5 ↓

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

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