UCSF

ZINC37201309

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 No

Popular Name: (4S)-N-[2-(2-pyridyl)ethyl]isothiochroman-4-amine (4S)-N-[2-(2-pyridyl)ethyl]isoth…

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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) 2.62 7.86 -5.7 1 2 0 25 270.401 4 ↓
Lo Low (pH 4.5-6) 2.62 9.05 -109.26 3 2 2 31 272.417 4 ↓
Lo Low (pH 4.5-6) 2.62 8.69 -42.34 2 2 1 29 271.409 4 ↓
Lo Low (pH 4.5-6) 2.62 8.21 -33.73 2 2 1 26 271.409 4 ↓

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Rings

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

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