UCSF

ZINC67561572

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: (5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-(1,4-diazepan-1-yl)methanone (5-benzyl-6,7-dihydro-4H-pyrazol…

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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) 0.93 6.59 -49.61 2 6 1 58 340.451 3 ↓
Hi High (pH 8-9.5) 0.93 5.31 -11.59 1 6 0 53 339.443 3 ↓
Mid Mid (pH 6-8) 0.93 8.85 -109.16 3 6 2 59 341.459 3 ↓

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

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