UCSF

ZINC67561639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: (3aS,6aR)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6- (3aS,6aR)-2-[(6-ethoxy-2-oxo-1H-…

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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) 0.38 -0.71 -51.26 1 7 -1 98 340.359 4 ↓
Mid Mid (pH 6-8) 0.19 1.05 -14.49 2 7 0 92 341.367 4 ↓
Mid Mid (pH 6-8) 0.38 1.82 -54.24 2 7 0 99 341.367 4 ↓

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

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