UCSF

ZINC13553098

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 Yes

Popular Name: 2-[(methylamino)methyl]quinazolin-4(3H)-one hydrochloride 2-[(methylamino)methyl]quinazoli…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1170187-60-6 , 143993-12-8

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) 0.65 3.08 -52.01 3 4 1 62 190.226 2 ↓
Hi High (pH 8-9.5) 0.65 1.59 -10.21 2 4 0 58 189.218 2 ↓
Hi High (pH 8-9.5) 1.11 -0.92 -46.17 1 4 -1 61 188.21 2 ↓
Mid Mid (pH 6-8) 1.11 2.03 -45.93 2 4 0 65 189.218 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
MP 157 - 159 Enamine Building Blocks
MP 157...159 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem

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