UCSF

ZINC48374144

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 25 Yes

Popular Name: 2-[[[(2R)-tetrahydrofuran-2-yl]methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]methyl]-3H-quinazolin 2-[[[(2R)-tetrahydrofuran-2-yl]m…

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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) 1.64 5.73 -9.6 1 6 0 67 343.427 6 ↓
Mid Mid (pH 6-8) 1.64 7.82 -41.67 2 6 1 69 344.435 6 ↓
Mid Mid (pH 6-8) 2.10 5.59 -41.56 1 6 0 72 343.427 6 ↓

Activity (Go SEA)

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