UCSF

ZINC63246126

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 26 No

Popular Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-2-(2H-indol-3-yl)ethanamine N-[(4,5-dimethoxy-2-nitro-phenyl…

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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) 2.85 8.12 -113.13 3 7 2 95 357.41 8 ↓
Mid Mid (pH 6-8) 2.85 6.77 -35.04 2 7 1 90 356.402 8 ↓

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

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