UCSF

ZINC58568306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 38 Yes

Popular Name: N-[2-[6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-4-[(1-methyl-4-piperidyl)amino]quinazolin-7-yl]oxyeth N-[2-[6-methoxy-2-(4-methyl-1,4-…

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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) 2.74 15.21 -233.66 5 10 4 77 532.778 11 ↓
Hi High (pH 8-9.5) 2.74 14.93 -143.46 4 10 3 76 531.77 11 ↓
Mid Mid (pH 6-8) 2.74 13.22 -139.33 4 10 3 76 531.77 11 ↓
Lo Low (pH 4.5-6) 2.74 17.52 -348.1 6 10 5 79 533.786 11 ↓

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Rings

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

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