UCSF

ZINC62845653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 21 Yes

Popular Name: 4-ethyl-1-quinazolin-4-yl-piperidine-4-carboxylic 4-ethyl-1-quinazolin-4-yl-piperi…

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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) 2.36 9.66 -52.79 0 5 -1 69 284.339 3 ↓
Mid Mid (pH 6-8) 2.36 10.13 -63.53 1 5 0 70 285.347 3 ↓
Lo Low (pH 4.5-6) 2.36 10.13 -53.19 1 5 0 70 285.347 3 ↓

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

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