UCSF

ZINC58308422

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: 1-[2-(1-piperidyl)-3-pyridyl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methan 1-[2-(1-piperidyl)-3-pyridyl]-N-…

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Download: MOL2 SDF SMILES Flexibase

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) 1.85 7.83 -58.88 3 6 1 63 327.456 5 ↓
Hi High (pH 8-9.5) 1.85 6.62 -8.99 2 6 0 58 326.448 5 ↓
Mid Mid (pH 6-8) 1.85 8.31 -118.72 4 6 2 64 328.464 5 ↓
Lo Low (pH 4.5-6) 1.85 8.47 -176.88 5 6 3 65 329.472 5 ↓

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Rings

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

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