UCSF

ZINC67967648

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: (5R)-1-allyl-5-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4,5,6,7-tetrahydroindaz (5R)-1-allyl-5-(2-cyano-4,6,7,8-…

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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) 1.73 7.57 -61.31 0 8 -1 103 365.417 4 ↓
Lo Low (pH 4.5-6) 1.73 9.5 -80.99 1 8 0 104 366.425 4 ↓

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

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