UCSF

ZINC08568415

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 24 Yes

Popular Name: bromo-[2-(4-methoxy-2-pyridyl)ethyl]BLAH bromo-[2-(4-methoxy-2-pyridyl)et…

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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) 3.85 7.99 -9.94 1 5 0 64 383.249 4 ↓
Hi High (pH 8-9.5) 3.85 7.5 -43.41 0 5 -1 62 382.241 4 ↓
Mid Mid (pH 6-8) 3.85 8.37 -36.96 2 5 1 65 384.257 4 ↓
Mid Mid (pH 6-8) 3.85 8.65 -101.77 3 5 2 66 385.265 4 ↓
Mid Mid (pH 6-8) 3.85 8.24 -45.16 2 5 1 65 384.257 4 ↓
Lo Low (pH 4.5-6) 3.85 8.21 -33.94 2 5 1 65 384.257 4 ↓
Lo Low (pH 4.5-6) 3.85 8.9 -188.49 4 5 3 67 386.273 4 ↓
Lo Low (pH 4.5-6) 3.85 8.63 -103.47 3 5 2 66 385.265 4 ↓
Lo Low (pH 4.5-6) 3.85 8.48 -88.45 3 5 2 66 385.265 4 ↓

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