UCSF

ZINC58541589

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 31 Yes

Popular Name: 6,7-dimethoxy-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidyl)quinazolin-4-amine 6,7-dimethoxy-N-methyl-2-(4-meth…

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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) 2.93 12.33 -46.52 1 8 1 58 429.589 5 ↓
Hi High (pH 8-9.5) 2.93 12.6 -86.68 2 8 2 60 430.597 5 ↓
Mid Mid (pH 6-8) 2.93 12.5 -78.77 2 8 2 60 430.597 5 ↓
Lo Low (pH 4.5-6) 2.93 14.34 -88.87 2 8 2 60 430.597 5 ↓
Lo Low (pH 4.5-6) 2.93 14.6 -164.6 3 8 3 61 431.605 5 ↓

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

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