UCSF

ZINC65497048

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: 5-methyl-N-(2-pyridylmethyl)-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a] 5-methyl-N-(2-pyridylmethyl)-N-[…

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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) 0.84 8.52 -54.07 1 7 1 65 370.477 5 ↓
Hi High (pH 8-9.5) 0.84 6.3 -17.6 0 7 0 63 369.469 5 ↓
Lo Low (pH 4.5-6) 0.84 8.94 -85.86 2 7 2 66 371.485 5 ↓

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

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