UCSF

ZINC38591962

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 No

Popular Name: (2S,6R,7aR)-2-[(E)-2H-indol-3-ylmethyleneamino]-6-methyl-2,4,5,6,7,7a-hexahydrobenzothiophene-3-carb (2S,6R,7aR)-2-[(E)-2H-indol-3-yl…

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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) 2.62 5.01 -34.59 3 4 1 69 340.472 3 ↓
Mid Mid (pH 6-8) 2.62 5.73 -101.88 4 4 2 71 341.48 3 ↓

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

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