UCSF

ZINC20122477

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 No

Popular Name: 4-[[2-(1H-indol-3-yl)ethylamino]methyl]benzene-1,2-diol 4-[[2-(1H-indol-3-yl)ethylamino]…

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Download: MOL2 SDF SMILES Flexibase

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) 2.48 4.21 -53.9 5 4 1 73 283.351 5 ↓
Mid Mid (pH 6-8) 2.48 2.79 -12.62 4 4 0 68 282.343 5 ↓

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

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