UCSF

ZINC41648819

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 Yes

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

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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) 2.46 8.78 -43.44 2 6 1 63 343.451 5 ↓
Mid Mid (pH 6-8) 2.46 6.54 -11.15 1 6 0 61 342.443 5 ↓
Mid Mid (pH 6-8) 2.92 6.33 -52.06 1 6 0 66 342.443 5 ↓
Mid Mid (pH 6-8) 2.46 7.69 -66.94 2 6 1 63 343.451 5 ↓

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Rings

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

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