UCSF

ZINC58563557

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 35 Yes

Popular Name: 7-(5-aminopentoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidyl)quinazolin-4-ami 7-(5-aminopentoxy)-6-methoxy-2-(…

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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) 2.53 13.9 -230.08 7 9 4 97 489.709 10 ↓
Hi High (pH 8-9.5) 2.53 13.63 -147.25 6 9 3 96 488.701 10 ↓
Hi High (pH 8-9.5) 2.53 11.62 -92.94 5 9 2 95 487.693 10 ↓
Mid Mid (pH 6-8) 2.53 11.9 -141.08 6 9 3 96 488.701 10 ↓

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Rings

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

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