UCSF

ZINC65166014

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 20 No

Popular Name: (4S)-6-amino-1'-(hydroxymethyl)-3-methyl-2'-oxo-spiro[1H-pyrano[2,3-c]pyrazole-4,3'-indoline]-5-carb (4S)-6-amino-1'-(hydroxymethyl)-…

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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) 0.11 -1.91 -17.08 4 8 0 128 323.312 1 ↓
Hi High (pH 8-9.5) 0.22 -2.3 -46.25 2 7 -1 97 274.304 6 ↓
Hi High (pH 8-9.5) 0.22 -1.2 -24.39 3 7 0 98 275.312 6 ↓
Mid Mid (pH 6-8) -0.24 0.25 -9.56 3 7 0 94 275.312 6 ↓
Mid Mid (pH 6-8) -0.24 2.57 -51.34 4 7 1 95 276.32 6 ↓

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