UCSF

ZINC59110663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 29 Yes

Popular Name: 3-[2-[(1R,3aR,6aR)-2-methyl-1-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethyl]-1H-quin 3-[2-[(1R,3aR,6aR)-2-methyl-1-ph…

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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) 2.80 9.08 -36.83 2 6 1 63 391.495 4 ↓
Mid Mid (pH 6-8) 3.26 7.23 -37.78 1 6 0 66 390.487 4 ↓
Lo Low (pH 4.5-6) 2.80 8.74 -40.92 2 6 1 63 391.495 4 ↓
Lo Low (pH 4.5-6) 2.80 11.18 -100.98 3 6 2 64 392.503 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.