UCSF

ZINC20130168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 25 Yes

Popular Name: 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinazolin-4-ol 2-[[4-(4-fluorophenyl)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) 2.65 9.23 -61.23 2 5 1 53 339.394 3 ↓
Mid Mid (pH 6-8) 2.65 7.25 -11.64 1 5 0 52 338.386 3 ↓
Mid Mid (pH 6-8) 3.10 6.82 -48.35 1 5 0 57 338.386 3 ↓
Mid Mid (pH 6-8) 2.65 9.42 -56.63 2 5 1 53 339.394 3 ↓

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Rings

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

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