UCSF

ZINC36332841

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 27 Yes

Popular Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one 2-[[4-(4-acetylphenyl)piperazin-…

Find On: PubMed — Wikipedia — Google

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) 2.38 9.66 -65.31 2 6 1 70 363.441 4 ↓
Mid Mid (pH 6-8) 2.38 7.67 -15.81 1 6 0 69 362.433 4 ↓
Mid Mid (pH 6-8) 2.84 7.04 -51.89 1 6 0 74 362.433 4 ↓
Mid Mid (pH 6-8) 2.38 9.84 -61.59 2 6 1 70 363.441 4 ↓

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Rings

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

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