UCSF

ZINC03690202

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

Popular Name: 4-[2-(2-pyridinyl)-1H-indol-3-yl]-1-butanamine oxalate 4-[2-(2-pyridinyl)-1H-indol-3-yl…

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CAS Numbers: 556777-69-6 , 916494-30-9

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) 2.39 -2.64 -45.44 4 3 1 56 266.368 5 ↓

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