UCSF

ZINC14244427

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 30 Yes

Popular Name: azepan-1-yl-[1-(3-chloro-2-methyl-pyrazolo[1,5-a]quinazolin-5-yl)-4-piperidyl]methanone azepan-1-yl-[1-(3-chloro-2-methy…

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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) 4.69 12.22 -12.64 0 6 0 54 425.964 2 ↓

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Rings

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

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