UCSF

ZINC16125285

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 12 Yes

Popular Name: 2-HYDROXYMETHYL-3,4-DIMETHOXYPYRIDINE 2-HYDROXYMETHYL-3,4-DIMETHOXYPYR…

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CAS Number: 72830-08-1

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) 0.29 -0.65 -8.52 1 4 0 52 169.18 3 ↓
Mid Mid (pH 6-8) 0.29 -0.38 -32.83 2 4 1 53 170.188 3 ↓

Activity (Go SEA)

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