UCSF

ZINC58309900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 Yes

Popular Name: 1-[6-(azepan-1-yl)-3-pyridyl]-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methan 1-[6-(azepan-1-yl)-3-pyridyl]-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) 2.40 8.7 -57.11 3 6 1 63 341.483 5 ↓
Hi High (pH 8-9.5) 2.40 7.33 -9.91 2 6 0 58 340.475 5 ↓
Mid Mid (pH 6-8) 2.40 9.02 -122.05 4 6 2 64 342.491 5 ↓
Lo Low (pH 4.5-6) 2.40 9.18 -178.82 5 6 3 65 343.499 5 ↓

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Rings

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

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