UCSF

ZINC20122481

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 Yes

Popular Name: 4-[[2-(1H-indol-3-yl)ethylamino]methyl]benzene-1,3-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) 2.89 3.42 -47.36 5 4 1 73 283.351 5 ↓
Hi High (pH 8-9.5) 2.89 4.2 -40.67 4 4 0 76 282.343 5 ↓
Mid Mid (pH 6-8) 2.89 1.94 -14.96 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.