UCSF

ZINC65531507

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: 5-[(3S)-1-ethyl-3-piperidyl]-N-(2-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-ca 5-[(3S)-1-ethyl-3-piperidyl]-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) 0.16 1.61 -44.22 3 7 1 75 336.46 5 ↓
Hi High (pH 8-9.5) 0.16 -0.63 -12.28 2 7 0 74 335.452 5 ↓
Lo Low (pH 4.5-6) 0.16 3.75 -123.7 4 7 2 76 337.468 5 ↓

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

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