UCSF

ZINC65493276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 28 Yes

Popular Name: [2-(m-tolyl)pyrimidin-5-yl]BLAHone [2-(m-tolyl)pyrimidin-5-yl]BLAHone

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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) 2.79 8.91 -13.54 1 6 0 72 369.428 2 ↓
Mid Mid (pH 6-8) 2.79 9.35 -40.49 2 6 1 73 370.436 2 ↓

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Rings

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

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