UCSF

ZINC38601117

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: (4aR)-N-[(E)-(2,5-dimethoxyphenyl)methyleneamino]-4aH-[1,2,4]triazino[5,6-b]indol-3-amine (4aR)-N-[(E)-(2,5-dimethoxypheny…

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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) 3.26 5.71 -91.93 3 8 2 96 350.382 5 ↓
Hi High (pH 8-9.5) 3.26 5.54 -32.24 2 8 1 94 349.374 5 ↓
Lo Low (pH 4.5-6) 2.72 6.69 -193.69 4 8 3 97 351.39 4 ↓

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

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