UCSF

ZINC37831641

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 Yes

Popular Name: (1S,2R)-2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[(8aS)-3,4,6,7,8,8a-he…

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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) 0.29 6.6 -59.96 1 5 0 65 238.287 2 ↓
Mid Mid (pH 6-8) 0.29 4.37 -56.29 0 5 -1 64 237.279 2 ↓
Lo Low (pH 4.5-6) 0.29 4.67 -47.9 2 5 1 62 239.295 2 ↓

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