UCSF

ZINC20000888

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 22 No

Popular Name: (3'R,4R)-6-amino-1',3'-dimethyl-3-propyl-spiro[2H-pyrano[6,5-c]pyrazole-4,4'-piperidine]-5-carbonitr (3'R,4R)-6-amino-1',3'-dimethyl-…

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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) 1.90 1.59 -37.72 4 6 1 92 302.402 2 ↓
Hi High (pH 8-9.5) 2.01 -0.03 -9.25 2 6 0 87 301.394 2 ↓
Lo Low (pH 4.5-6) 1.90 2.93 -103.72 5 6 2 94 303.41 2 ↓

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