UCSF

ZINC00542672

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 No

Popular Name: (4aR,10bS)-2-amino-4,4-dimethyl-5,10b-dihydro-4aH-thiopyrano[3,4-c]chromene-1-carbonitrile (4aR,10bS)-2-amino-4,4-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) 2.71 5.57 -7.9 2 3 0 59 272.373 0 ↓
Mid Mid (pH 6-8) 2.71 5.48 -44.55 3 3 1 61 273.381 0 ↓

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