UCSF

ZINC37831647

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Popular Name: (1S,6R)-6-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]cyclohex-3-ene-1-carbox (1S,6R)-6-[(8aR)-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) 0.85 8.13 -59.06 1 5 0 65 278.352 2 ↓
Mid Mid (pH 6-8) 0.85 5.98 -49.1 0 5 -1 64 277.344 2 ↓
Lo Low (pH 4.5-6) 0.85 6.03 -38.81 2 5 1 62 279.36 2 ↓

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