UCSF

ZINC15782051

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 21 Yes

Popular Name: (1R)-1-phenyl-1,2-bis(4-pyridyl)ethanol (1R)-1-phenyl-1,2-bis(4-pyridyl)…

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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) 1.53 6.31 -7.63 1 3 0 46 276.339 4 ↓
Lo Low (pH 4.5-6) 1.53 6.59 -39.78 2 3 1 47 277.347 4 ↓
Lo Low (pH 4.5-6) 1.53 6.59 -38.79 2 3 1 47 277.347 4 ↓
Lo Low (pH 4.5-6) 1.53 6.87 -82.78 3 3 2 49 278.355 4 ↓

Activity (Go SEA)

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