UCSF

ZINC58568979

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 4.61 17.04 -160.85 4 8 3 70 487.713 9 ↓
Hi High (pH 8-9.5) 4.61 16.75 -91.35 3 8 2 68 486.705 9 ↓
Hi High (pH 8-9.5) 4.61 14.78 -47.73 2 8 1 67 485.697 9 ↓
Mid Mid (pH 6-8) 4.61 15.07 -82.73 3 8 2 68 486.705 9 ↓

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Rings

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

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