UCSF

ZINC53542109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 20 Yes

Popular Name: 1-[2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]quinolin-4-one 1-[2-[[(2S)-tetrahydrofuran-2-yl…

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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) 0.43 7.06 -66.93 2 4 1 48 273.356 5 ↓
Hi High (pH 8-9.5) 0.43 5.64 -15.01 1 4 0 43 272.348 5 ↓

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

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