UCSF

ZINC41648824

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 Yes

Popular Name: 6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-isopropyl-pyrimidin-4-ol 6-[[4-(3-chlorophenyl)piperazin-…

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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) 3.11 8.89 -47.09 2 5 1 53 347.87 4 ↓
Mid Mid (pH 6-8) 3.11 6.64 -10.33 1 5 0 52 346.862 4 ↓
Mid Mid (pH 6-8) 3.56 6.65 -53.12 1 5 0 57 346.862 4 ↓

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Rings

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

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